data_4_Perylene
_audit_creation_date              2017-04-01
_audit_creation_method
;
Olex2 1.2
(compiled 2016.11.30 svn.r3356 for OlexSys, GUI svn.r5269)
;
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_id_orcid     ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
;
_chemical_name_common             ?
_chemical_name_systematic         ?
_chemical_formula_moiety          '4(F6 P), C40 H32 N12, 4(C2 H3 N), C20 H12'
_chemical_formula_sum             'C68 H56 F24 N16 P4'
_chemical_formula_weight          1677.16
_chemical_melting_point           ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system       'triclinic'
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                    10.8276(8)
_cell_length_b                    13.2652(9)
_cell_length_c                    13.6121(10)
_cell_angle_alpha                 81.996(3)
_cell_angle_beta                  89.523(3)
_cell_angle_gamma                 67.586(3)
_cell_volume                      1787.7(2)
_cell_formula_units_Z             1
_cell_measurement_reflns_used     9996
_cell_measurement_temperature     100(2)
_cell_measurement_theta_max       66.82
_cell_measurement_theta_min       3.28
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     2.036
_exptl_absorpt_correction_T_max   0.7528
_exptl_absorpt_correction_T_min   0.6552
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1091 before and 0.0321 after correction.
The Ratio of minimum to maximum transmission is 0.8704.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             'purple'
_exptl_crystal_density_diffrn     1.558
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        'block'
_exptl_crystal_F_000              852
_exptl_crystal_size_max           0.35
_exptl_crystal_size_mid           0.18
_exptl_crystal_size_min           0.17
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0221
_diffrn_reflns_av_unetI/netI      0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_h_min        -10
_diffrn_reflns_limit_k_max        15
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_l_max        14
_diffrn_reflns_limit_l_min        -16
_diffrn_reflns_number             13150
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full         66.817
_diffrn_reflns_theta_max          66.817
_diffrn_reflns_theta_min          3.282
_diffrn_ambient_temperature       99.99
_diffrn_detector_area_resol_mean  ?
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_radiation_type            CuK\a
_diffrn_radiation_wavelength      1.54178
_diffrn_source                    ?
_diffrn_standards_number          0
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 5818
_reflns_number_total              6118
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement        'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection        ?
_computing_data_reduction         'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'XL (Sheldrick, 2008)'
_computing_structure_solution     'XT (Sheldrick, 2015)'
_refine_diff_density_max          0.888
_refine_diff_density_min          -0.490
_refine_diff_density_rms          0.069
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.069
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      507
_refine_ls_number_reflns          6118
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0523
_refine_ls_R_factor_gt            0.0507
_refine_ls_restrained_S_all       1.069
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0719P)²+2.2417P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1388
_refine_ls_wR_factor_ref          0.1403
_refine_special_details           ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00T(H00A,H00B), C014(H01A,H01B)
2.b Aromatic/amide H refined with riding coordinates:
 C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S), C00U(H00U), C00Y(H00Y),
 C010(H010), C011(H011), C012(H012), C013(H013), C015(H015), C016(H016),
 C01A(H01C), C01D(H01D), C01E(H01E), C01F(H01F), C01G(H01G), C01I(H01I)
2.c Idealised Me refined as rotating group:
 C01H(H01L,H01M,H01N), C01K(H01H,H01J,H01K)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      dual
_atom_sites_solution_secondary    ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 P001 P 0.24545(6) 0.17851(5) 0.00295(4) 0.02325(17) Uani 1 1 d . . . . .
 P002 P 0.37775(7) 0.35939(6) 0.54475(5) 0.03207(19) Uani 1 1 d . . . . .
 F003 F 0.28312(17) 0.15173(12) 0.12038(11) 0.0387(4) Uani 1 1 d . . . . .
 F004 F 0.31854(16) 0.33588(13) 0.65104(12) 0.0379(4) Uani 1 1 d . . . . .
 F005 F 0.20979(17) 0.20582(13) -0.11348(11) 0.0381(4) Uani 1 1 d . . . . .
 F006 F 0.34927(18) 0.48120(14) 0.56373(14) 0.0445(4) Uani 1 1 d . . . . .
 F007 F 0.2735(2) 0.05252(13) 0.00020(13) 0.0480(5) Uani 1 1 d . . . . .
 F008 F 0.09364(17) 0.20311(17) 0.02502(14) 0.0504(5) Uani 1 1 d . . . . .
 F009 F 0.4355(2) 0.38053(17) 0.43990(14) 0.0536(5) Uani 1 1 d . . . . .
 F00A F 0.2178(2) 0.30520(13) 0.00872(12) 0.0503(5) Uani 1 1 d . . . . .
 F00B F 0.23029(18) 0.39973(17) 0.49541(13) 0.0493(5) Uani 1 1 d . . . . .
 F00C F 0.52308(17) 0.31661(17) 0.59822(16) 0.0533(5) Uani 1 1 d . . . . .
 F00D F 0.39849(18) 0.1551(2) -0.01623(14) 0.0574(5) Uani 1 1 d . . . . .
 F00E F 0.4050(2) 0.23445(15) 0.52985(14) 0.0500(5) Uani 1 1 d . . . . .
 N00F N 0.47507(19) -0.24000(15) 0.85409(14) 0.0199(4) Uani 1 1 d . . . . .
 N00G N -0.03102(18) 0.42680(15) 0.24290(14) 0.0187(4) Uani 1 1 d . . . . .
 N00H N 0.2800(2) 0.09312(16) 0.45932(15) 0.0242(4) Uani 1 1 d . . . . .
 N00I N 0.1984(2) 0.11666(16) 0.64731(15) 0.0256(4) Uani 1 1 d . . . . .
 N00J N 0.3447(2) 0.01472(16) 0.53344(15) 0.0245(4) Uani 1 1 d . . . . .
 N00K N 0.1327(2) 0.19504(17) 0.57311(15) 0.0257(4) Uani 1 1 d . . . . .
 N00L N -0.2065(2) 0.49996(19) 0.79697(18) 0.0348(5) Uani 1 1 d . . . . .
 C00M C -0.4155(2) 0.39617(17) 0.08391(16) 0.0191(4) Uani 1 1 d . . . . .
 C00N C -0.2214(2) 0.47732(17) 0.12529(16) 0.0200(5) Uani 1 1 d . . . . .
 N00O N 0.3733(3) -0.2325(2) 0.14617(18) 0.0389(6) Uani 1 1 d . . . . .
 C00P C -0.3415(2) 0.50975(18) 0.17316(17) 0.0209(5) Uani 1 1 d . . . . .
 H00P H -0.3576 0.5596 0.2201 0.025 Uiso 1 1 calc R . . . .
 C00Q C 0.4710(2) -0.1595(2) 0.68697(17) 0.0236(5) Uani 1 1 d . . . . .
 H00Q H 0.5049 -0.1649 0.6225 0.028 Uiso 1 1 calc R . . . .
 C00R C -0.4379(2) 0.46938(18) 0.15247(17) 0.0206(5) Uani 1 1 d . . . . .
 H00R H -0.5197 0.4918 0.1853 0.025 Uiso 1 1 calc R . . . .
 C00S C -0.2982(2) 0.36799(18) 0.03276(16) 0.0213(5) Uani 1 1 d . . . . .
 H00S H -0.2840 0.3211 -0.0165 0.026 Uiso 1 1 calc R . . . .
 C00T C -0.1103(2) 0.50980(18) 0.15718(17) 0.0219(5) Uani 1 1 d . . . . .
 H00A H -0.0517 0.5117 0.1013 0.026 Uiso 1 1 calc R . . . .
 H00B H -0.1482 0.5841 0.1773 0.026 Uiso 1 1 calc R . . . .
 C00U C -0.0640(2) 0.4444(2) 0.33633(17) 0.0235(5) Uani 1 1 d . . . . .
 H00U H -0.1324 0.5117 0.3479 0.028 Uiso 1 1 calc R . . . .
 C00V C 0.3007(2) 0.02965(19) 0.62442(17) 0.0221(5) Uani 1 1 d . . . . .
 C00W C 0.1028(2) 0.26692(19) 0.39852(18) 0.0217(5) Uani 1 1 d . . . . .
 C00X C 0.3696(2) -0.06239(18) 0.70653(17) 0.0208(5) Uani 1 1 d . . . . .
 C00Y C 0.3834(2) -0.14489(18) 0.87591(17) 0.0205(5) Uani 1 1 d . . . . .
 H00Y H 0.3559 -0.1399 0.9421 0.025 Uiso 1 1 calc R . . . .
 C00Z C 0.1757(2) 0.17994(19) 0.48191(17) 0.0219(5) Uani 1 1 d . . . . .
 C010 C 0.5216(2) -0.24741(19) 0.76243(18) 0.0232(5) Uani 1 1 d . . . . .
 H010 H 0.5901 -0.3140 0.7494 0.028 Uiso 1 1 calc R . . . .
 C011 C 0.0667(2) 0.33300(19) 0.22495(18) 0.0229(5) Uani 1 1 d . . . . .
 H011 H 0.0887 0.3227 0.1584 0.027 Uiso 1 1 calc R . . . .
 C012 C -0.2017(2) 0.40818(18) 0.05346(16) 0.0219(5) Uani 1 1 d . . . . .
 H012 H -0.1217 0.3884 0.0184 0.026 Uiso 1 1 calc R . . . .
 C013 C 0.3287(2) -0.05442(18) 0.80314(17) 0.0217(5) Uani 1 1 d . . . . .
 H013 H 0.2639 0.0125 0.8190 0.026 Uiso 1 1 calc R . . . .
 C014 C 0.5135(2) -0.34210(18) 0.92954(17) 0.0217(5) Uani 1 1 d . . . . .
 H01A H 0.5102 -0.3227 0.9974 0.026 Uiso 1 1 calc R . . . .
 H01B H 0.6057 -0.3933 0.9198 0.026 Uiso 1 1 calc R . . . .
 C015 C 0.0017(2) 0.3649(2) 0.41519(18) 0.0254(5) Uani 1 1 d . . . . .
 H015 H -0.0221 0.3770 0.4811 0.030 Uiso 1 1 calc R . . . .
 C016 C 0.1353(2) 0.25168(19) 0.30148(18) 0.0233(5) Uani 1 1 d . . . . .
 H016 H 0.2043 0.1856 0.2880 0.028 Uiso 1 1 calc R . . . .
 C017 C -0.1130(2) 0.1056(2) 0.48645(19) 0.0246(5) Uani 1 1 d . . . . .
 C018 C -0.0801(2) 0.1265(2) 0.30625(19) 0.0259(5) Uani 1 1 d . . . . .
 C019 C 0.0723(2) -0.0398(2) 0.41422(19) 0.0256(5) Uani 1 1 d . . . . .
 C01A C -0.1882(2) 0.2297(2) 0.2958(2) 0.0277(5) Uani 1 1 d . . . . .
 H01C H -0.2149 0.2720 0.2318 0.033 Uiso 1 1 calc R . . . .
 C01B C 0.4196(3) -0.1800(2) 0.17990(19) 0.0302(6) Uani 1 1 d . . . . .
 C01C C -0.0402(2) 0.06319(19) 0.40295(19) 0.0239(5) Uani 1 1 d . . . . .
 C01D C -0.2181(2) 0.2080(2) 0.4700(2) 0.0287(5) Uani 1 1 d . . . . .
 H01D H -0.2666 0.2370 0.5250 0.034 Uiso 1 1 calc R . . . .
 C01E C 0.1392(3) -0.0732(2) 0.3305(2) 0.0323(6) Uani 1 1 d . . . . .
 H01E H 0.2161 -0.1399 0.3374 0.039 Uiso 1 1 calc R . . . .
 C01F C -0.2547(3) 0.2693(2) 0.3763(2) 0.0308(6) Uani 1 1 d . . . . .
 H01F H -0.3265 0.3394 0.3681 0.037 Uiso 1 1 calc R . . . .
 C01G C -0.0100(3) 0.0856(2) 0.2232(2) 0.0334(6) Uani 1 1 d . . . . .
 H01G H -0.0377 0.1261 0.1586 0.040 Uiso 1 1 calc R . . . .
 C01H C 0.4755(3) -0.1111(2) 0.2219(2) 0.0338(6) Uani 1 1 d . . . . .
 H01L H 0.4478 -0.0393 0.1797 0.051 Uiso 1 1 calc GR . . . .
 H01M H 0.5733 -0.1468 0.2258 0.051 Uiso 1 1 calc GR . . . .
 H01N H 0.4431 -0.1007 0.2887 0.051 Uiso 1 1 calc GR . . . .
 C01I C 0.0979(3) -0.0125(2) 0.2357(2) 0.0372(6) Uani 1 1 d . . . . .
 H01I H 0.1452 -0.0397 0.1797 0.045 Uiso 1 1 calc R . . . .
 C01J C -0.2005(3) 0.4372(3) 0.7482(3) 0.0497(8) Uani 1 1 d . . . . .
 C01K C -0.2040(5) 0.3607(4) 0.6799(4) 0.0788(14) Uani 1 1 d . . . . .
 H01H H -0.2272 0.4006 0.6121 0.118 Uiso 1 1 calc GR . . . .
 H01J H -0.2712 0.3302 0.7004 0.118 Uiso 1 1 calc GR . . . .
 H01K H -0.1160 0.3006 0.6818 0.118 Uiso 1 1 calc GR . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 P001 F003 1.6093(15) . ?
 P001 F005 1.5924(15) . ?
 P001 F007 1.5866(16) . ?
 P001 F008 1.5839(17) . ?
 P001 F00A 1.6039(16) . ?
 P001 F00D 1.5916(18) . ?
 P002 F004 1.6164(17) . ?
 P002 F006 1.5836(17) . ?
 P002 F009 1.5858(19) . ?
 P002 F00B 1.5978(18) . ?
 P002 F00C 1.5971(19) . ?
 P002 F00E 1.6109(18) . ?
 N00F C00Y 1.345(3) . ?
 N00F C010 1.344(3) . ?
 N00F C014 1.501(3) . ?
 N00G C00T 1.499(3) . ?
 N00G C00U 1.346(3) . ?
 N00G C011 1.343(3) . ?
 N00H N00J 1.324(3) . ?
 N00H C00Z 1.341(3) . ?
 N00I N00K 1.328(3) . ?
 N00I C00V 1.333(3) . ?
 N00J C00V 1.336(3) . ?
 N00K C00Z 1.336(3) . ?
 N00L C01J 1.118(4) . ?
 C00M C00R 1.394(3) . ?
 C00M C00S 1.390(3) . ?
 C00M C014 1.515(3) 2_556 ?
 C00N C00P 1.392(3) . ?
 C00N C00T 1.510(3) . ?
 C00N C012 1.393(3) . ?
 N00O C01B 1.143(4) . ?
 C00P H00P 0.9500 . ?
 C00P C00R 1.389(3) . ?
 C00Q H00Q 0.9500 . ?
 C00Q C00X 1.396(3) . ?
 C00Q C010 1.380(3) . ?
 C00R H00R 0.9500 . ?
 C00S H00S 0.9500 . ?
 C00S C012 1.388(3) . ?
 C00T H00A 0.9900 . ?
 C00T H00B 0.9900 . ?
 C00U H00U 0.9500 . ?
 C00U C015 1.377(3) . ?
 C00V C00X 1.495(3) . ?
 C00W C00Z 1.482(3) . ?
 C00W C015 1.390(3) . ?
 C00W C016 1.386(3) . ?
 C00X C013 1.389(3) . ?
 C00Y H00Y 0.9500 . ?
 C00Y C013 1.382(3) . ?
 C010 H010 0.9500 . ?
 C011 H011 0.9500 . ?
 C011 C016 1.375(3) . ?
 C012 H012 0.9500 . ?
 C013 H013 0.9500 . ?
 C014 C00M 1.515(3) 2_556 ?
 C014 H01A 0.9900 . ?
 C014 H01B 0.9900 . ?
 C015 H015 0.9500 . ?
 C016 H016 0.9500 . ?
 C017 C019 1.474(4) 2_556 ?
 C017 C01C 1.434(3) . ?
 C017 C01D 1.390(4) . ?
 C018 C01A 1.410(3) . ?
 C018 C01C 1.432(4) . ?
 C018 C01G 1.411(4) . ?
 C019 C017 1.474(4) 2_556 ?
 C019 C01C 1.431(3) . ?
 C019 C01E 1.379(4) . ?
 C01A H01C 0.9500 . ?
 C01A C01F 1.361(4) . ?
 C01B C01H 1.449(4) . ?
 C01D H01D 0.9500 . ?
 C01D C01F 1.386(4) . ?
 C01E H01E 0.9500 . ?
 C01E C01I 1.399(4) . ?
 C01F H01F 0.9500 . ?
 C01G H01G 0.9500 . ?
 C01G C01I 1.367(4) . ?
 C01H H01L 0.9800 . ?
 C01H H01M 0.9800 . ?
 C01H H01N 0.9800 . ?
 C01I H01I 0.9500 . ?
 C01J C01K 1.480(5) . ?
 C01K H01H 0.9800 . ?
 C01K H01J 0.9800 . ?
 C01K H01K 0.9800 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 F005 P001 F003 179.15(10) . . ?
 F005 P001 F00A 91.17(9) . . ?
 F007 P001 F003 90.21(9) . . ?
 F007 P001 F005 90.28(9) . . ?
 F007 P001 F00A 178.55(9) . . ?
 F007 P001 F00D 89.96(12) . . ?
 F008 P001 F003 89.90(10) . . ?
 F008 P001 F005 90.78(10) . . ?
 F008 P001 F007 90.93(11) . . ?
 F008 P001 F00A 88.95(11) . . ?
 F008 P001 F00D 178.29(10) . . ?
 F00A P001 F003 88.34(8) . . ?
 F00D P001 F003 88.63(10) . . ?
 F00D P001 F005 90.67(10) . . ?
 F00D P001 F00A 90.12(12) . . ?
 F006 P002 F004 89.59(9) . . ?
 F006 P002 F009 91.41(10) . . ?
 F006 P002 F00B 89.92(10) . . ?
 F006 P002 F00C 90.75(10) . . ?
 F006 P002 F00E 177.72(10) . . ?
 F009 P002 F004 178.96(10) . . ?
 F009 P002 F00B 91.14(11) . . ?
 F009 P002 F00C 91.23(11) . . ?
 F009 P002 F00E 90.86(10) . . ?
 F00B P002 F004 88.55(9) . . ?
 F00B P002 F00E 90.24(11) . . ?
 F00C P002 F004 89.07(10) . . ?
 F00C P002 F00B 177.52(11) . . ?
 F00C P002 F00E 88.99(11) . . ?
 F00E P002 F004 88.15(9) . . ?
 C00Y N00F C014 119.27(19) . . ?
 C010 N00F C00Y 120.84(19) . . ?
 C010 N00F C014 119.50(19) . . ?
 C00U N00G C00T 119.55(19) . . ?
 C011 N00G C00T 119.29(19) . . ?
 C011 N00G C00U 121.0(2) . . ?
 N00J N00H C00Z 117.3(2) . . ?
 N00K N00I C00V 117.3(2) . . ?
 N00H N00J C00V 117.0(2) . . ?
 N00I N00K C00Z 117.0(2) . . ?
 C00R C00M C014 120.2(2) . 2_556 ?
 C00S C00M C00R 119.3(2) . . ?
 C00S C00M C014 120.4(2) . 2_556 ?
 C00P C00N C00T 119.9(2) . . ?
 C00P C00N C012 119.3(2) . . ?
 C012 C00N C00T 120.7(2) . . ?
 C00N C00P H00P 120.0 . . ?
 C00R C00P C00N 120.1(2) . . ?
 C00R C00P H00P 120.0 . . ?
 C00X C00Q H00Q 120.4 . . ?
 C010 C00Q H00Q 120.4 . . ?
 C010 C00Q C00X 119.2(2) . . ?
 C00M C00R H00R 119.8 . . ?
 C00P C00R C00M 120.5(2) . . ?
 C00P C00R H00R 119.8 . . ?
 C00M C00S H00S 119.9 . . ?
 C012 C00S C00M 120.2(2) . . ?
 C012 C00S H00S 119.9 . . ?
 N00G C00T C00N 108.52(17) . . ?
 N00G C00T H00A 110.0 . . ?
 N00G C00T H00B 110.0 . . ?
 C00N C00T H00A 110.0 . . ?
 C00N C00T H00B 110.0 . . ?
 H00A C00T H00B 108.4 . . ?
 N00G C00U H00U 120.0 . . ?
 N00G C00U C015 119.9(2) . . ?
 C015 C00U H00U 120.0 . . ?
 N00I C00V N00J 125.9(2) . . ?
 N00I C00V C00X 117.7(2) . . ?
 N00J C00V C00X 116.4(2) . . ?
 C015 C00W C00Z 121.4(2) . . ?
 C016 C00W C00Z 120.1(2) . . ?
 C016 C00W C015 118.6(2) . . ?
 C00Q C00X C00V 120.8(2) . . ?
 C013 C00X C00Q 118.9(2) . . ?
 C013 C00X C00V 120.2(2) . . ?
 N00F C00Y H00Y 119.6 . . ?
 N00F C00Y C013 120.8(2) . . ?
 C013 C00Y H00Y 119.6 . . ?
 N00H C00Z C00W 117.0(2) . . ?
 N00K C00Z N00H 125.6(2) . . ?
 N00K C00Z C00W 117.4(2) . . ?
 N00F C010 C00Q 120.8(2) . . ?
 N00F C010 H010 119.6 . . ?
 C00Q C010 H010 119.6 . . ?
 N00G C011 H011 119.5 . . ?
 N00G C011 C016 121.0(2) . . ?
 C016 C011 H011 119.5 . . ?
 C00N C012 H012 119.8 . . ?
 C00S C012 C00N 120.5(2) . . ?
 C00S C012 H012 119.8 . . ?
 C00X C013 H013 120.4 . . ?
 C00Y C013 C00X 119.3(2) . . ?
 C00Y C013 H013 120.4 . . ?
 N00F C014 C00M 107.88(17) . 2_556 ?
 N00F C014 H01A 110.1 . . ?
 N00F C014 H01B 110.1 . . ?
 C00M C014 H01A 110.1 2_556 . ?
 C00M C014 H01B 110.1 2_556 . ?
 H01A C014 H01B 108.4 . . ?
 C00U C015 C00W 120.1(2) . . ?
 C00U C015 H015 119.9 . . ?
 C00W C015 H015 119.9 . . ?
 C00W C016 H016 120.3 . . ?
 C011 C016 C00W 119.4(2) . . ?
 C011 C016 H016 120.3 . . ?
 C01C C017 C019 118.8(2) . 2_556 ?
 C01D C017 C019 122.9(2) . 2_556 ?
 C01D C017 C01C 118.3(2) . . ?
 C01A C018 C01C 119.3(2) . . ?
 C01A C018 C01G 121.1(2) . . ?
 C01G C018 C01C 119.6(2) . . ?
 C01C C019 C017 119.5(2) . 2_556 ?
 C01E C019 C017 122.5(2) . 2_556 ?
 C01E C019 C01C 118.0(2) . . ?
 C018 C01A H01C 119.6 . . ?
 C01F C01A C018 120.9(2) . . ?
 C01F C01A H01C 119.6 . . ?
 N00O C01B C01H 178.6(3) . . ?
 C018 C01C C017 118.9(2) . . ?
 C019 C01C C017 121.6(2) . . ?
 C019 C01C C018 119.4(2) . . ?
 C017 C01D H01D 118.9 . . ?
 C01F C01D C017 122.3(2) . . ?
 C01F C01D H01D 118.9 . . ?
 C019 C01E H01E 118.8 . . ?
 C019 C01E C01I 122.5(2) . . ?
 C01I C01E H01E 118.8 . . ?
 C01A C01F C01D 120.3(2) . . ?
 C01A C01F H01F 119.8 . . ?
 C01D C01F H01F 119.8 . . ?
 C018 C01G H01G 120.0 . . ?
 C01I C01G C018 120.0(2) . . ?
 C01I C01G H01G 120.0 . . ?
 C01B C01H H01L 109.5 . . ?
 C01B C01H H01M 109.5 . . ?
 C01B C01H H01N 109.5 . . ?
 H01L C01H H01M 109.5 . . ?
 H01L C01H H01N 109.5 . . ?
 H01M C01H H01N 109.5 . . ?
 C01E C01I H01I 119.8 . . ?
 C01G C01I C01E 120.4(3) . . ?
 C01G C01I H01I 119.8 . . ?
 N00L C01J C01K 175.1(4) . . ?
 C01J C01K H01H 109.5 . . ?
 C01J C01K H01J 109.5 . . ?
 C01J C01K H01K 109.5 . . ?
 H01H C01K H01J 109.5 . . ?
 H01H C01K H01K 109.5 . . ?
 H01J C01K H01K 109.5 . . ?

_shelx_SHELXL_version_number      '2014/7'
_olex2_submission_special_instructions 'No special instructions were received'
