data_chfei_0307
_audit_creation_date              2018-03-07
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number      '2014/7'
_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. C71, 3-8.
;
_chemical_name_common             ?
_chemical_name_systematic         ?
_chemical_formula_moiety          'C17 H12 N2 O4'
_chemical_formula_sum             'C17 H12 N2 O4'
_chemical_formula_weight          308.29
_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'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 '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       'monoclinic'
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 1 21/c 1'
_space_group_name_Hall            '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                    6.8554(3)
_cell_length_b                    18.0992(7)
_cell_length_c                    11.1588(4)
_cell_angle_alpha                 90
_cell_angle_beta                  92.472(4)
_cell_angle_gamma                 90
_cell_volume                      1383.27(10)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     2602
_cell_measurement_temperature     290.04(10)
_cell_measurement_theta_max       69.8400
_cell_measurement_theta_min       3.9690
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     0.896
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.23644
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             'clear dark yellow'
_exptl_crystal_colour_lustre      clear
_exptl_crystal_colour_modifier    dark
_exptl_crystal_colour_primary     yellow
_exptl_crystal_density_diffrn     1.480
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        block
_exptl_crystal_F_000              640
_exptl_crystal_size_max           0.21
_exptl_crystal_size_mid           0.15
_exptl_crystal_size_min           0.14
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0141
_diffrn_reflns_av_unetI/netI      0.0182
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max        8
_diffrn_reflns_limit_h_min        -6
_diffrn_reflns_limit_k_max        21
_diffrn_reflns_limit_k_min        -21
_diffrn_reflns_limit_l_max        13
_diffrn_reflns_limit_l_min        -9
_diffrn_reflns_number             4482
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full         67.684
_diffrn_reflns_theta_max          69.615
_diffrn_reflns_theta_min          4.887
_diffrn_ambient_environment       air
_diffrn_ambient_temperature       290.04(10)
_diffrn_detector                  'CCD plate'
_diffrn_detector_area_resol_mean  16.0733
_diffrn_detector_type             Eos
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω      1.00  47.50   1.50    1.50    --   54.00 -99.00  90.00   31
  2  ω     37.00 140.50   1.50    1.50    --  108.00 -91.00  60.00   69
  3  ω     69.00 130.50   1.50    1.50    --  108.00 -63.00  30.00   41
  4  ω     88.00 178.00   1.50    1.50    --  108.00  38.00-120.00   60
  5  ω    136.00 176.50   1.50    1.50    --  108.00  50.00-180.00   27
  6  ω    103.00 143.50   1.50    1.50    --  108.00 111.00 -90.00   27
  7  ω     90.00 117.00   1.50    1.50    --  108.00  50.00-150.00   18
  8  ω     86.00 113.00   1.50    1.50    --  108.00  50.00-180.00   18
  9  ω     44.00  69.50   1.50    1.50    --    0.00  57.00-120.00   17
 10  ω    -16.00  11.00   1.50    1.50    --    0.00  57.00-120.00   18
 11  ω    -19.00 101.00   1.50    1.50    --   54.00   0.00  60.00   80
 12  ω     42.00  69.00   1.50    1.50    --    0.00  77.00  90.00   18
 13  ω     69.00 111.00   1.50    1.50    --   54.00-125.00-150.00   28
 14  ω     25.00  67.00   1.50    1.50    --   54.00-125.00-150.00   28
 15  ω    -28.00  -1.00   1.50    1.50    --    0.00  77.00  90.00   18
 16  ω    101.00 128.00   1.50    1.50    --  108.00 111.00  60.00   18
 17  ω    139.00 170.50   1.50    1.50    --  108.00 111.00  60.00   21
;
_diffrn_measurement_device        'four-circle diffractometer'
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method        'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11       0.2043486000
_diffrn_orient_matrix_UB_12       -0.0354638000
_diffrn_orient_matrix_UB_13       0.0111866000
_diffrn_orient_matrix_UB_21       0.0888439000
_diffrn_orient_matrix_UB_22       0.0756679000
_diffrn_orient_matrix_UB_23       0.0343609000
_diffrn_orient_matrix_UB_31       -0.0297763000
_diffrn_orient_matrix_UB_32       -0.0164601000
_diffrn_orient_matrix_UB_33       0.1333722000
_diffrn_radiation_monochromator   mirror
_diffrn_radiation_probe           x-ray
_diffrn_radiation_type            CuK\a
_diffrn_radiation_wavelength      1.54184
_diffrn_source                    'micro-focus sealed X-ray tube'
_diffrn_source_type               'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 2216
_reflns_number_total              2524
_reflns_odcompleteness_completeness 98.25
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      66.97
_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        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction         'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2015)'
_computing_structure_solution     'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max          0.193
_refine_diff_density_min          -0.299
_refine_diff_density_rms          0.078
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    0.849
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      208
_refine_ls_number_reflns          2524
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0551
_refine_ls_R_factor_gt            0.0505
_refine_ls_restrained_S_all       0.849
_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)+(0.0957P)²+0.7272P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1318
_refine_ls_wR_factor_ref          0.1364
_refine_special_details           ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C16(H16), C17(H17)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      direct
_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
 O1 O 0.2774(2) 0.33856(7) 0.38906(12) 0.0591(4) Uani 1 1 d . . . . .
 O2 O 0.1900(4) 0.69409(9) 0.84067(14) 0.0957(7) Uani 1 1 d . . . . .
 O3 O 0.1833(4) 0.76863(9) 0.69436(17) 0.0995(7) Uani 1 1 d . . . . .
 O4 O 0.2292(2) 0.47541(8) 0.29885(10) 0.0489(4) Uani 1 1 d . . . . .
 N1 N 0.2710(2) 0.40105(8) 0.46216(12) 0.0365(3) Uani 1 1 d . . . . .
 C1 C 0.2981(3) 0.27665(11) 0.46759(18) 0.0560(5) Uani 1 1 d . . . . .
 H1A H 0.4173 0.2502 0.4518 0.067 Uiso 1 1 calc R . . . .
 H1B H 0.1889 0.2432 0.4540 0.067 Uiso 1 1 calc R . . . .
 C2 C 0.3048(3) 0.30322(10) 0.59543(18) 0.0542(5) Uani 1 1 d . . . . .
 H2A H 0.4274 0.2901 0.6365 0.065 Uiso 1 1 calc R . . . .
 H2B H 0.1980 0.2827 0.6390 0.065 Uiso 1 1 calc R . . . .
 C3 C 0.2851(2) 0.38540(9) 0.58278(14) 0.0358(4) Uani 1 1 d . . . . .
 C4 C 0.2763(2) 0.43994(9) 0.66506(13) 0.0333(4) Uani 1 1 d . . . . .
 C5 C 0.2519(2) 0.51444(8) 0.62023(13) 0.0304(3) Uani 1 1 d . . . . .
 C6 C 0.2390(2) 0.57512(9) 0.69836(14) 0.0354(4) Uani 1 1 d . . . . .
 H6 H 0.2473 0.5681 0.7810 0.042 Uiso 1 1 calc R . . . .
 C7 C 0.2142(2) 0.64450(9) 0.65157(15) 0.0375(4) Uani 1 1 d . . . . .
 C8 C 0.2022(3) 0.65903(10) 0.52895(16) 0.0409(4) Uani 1 1 d . . . . .
 H8 H 0.1870 0.7070 0.5003 0.049 Uiso 1 1 calc R . . . .
 C9 C 0.2132(2) 0.60067(9) 0.45214(14) 0.0376(4) Uani 1 1 d . . . . .
 H9 H 0.2046 0.6089 0.3698 0.045 Uiso 1 1 calc R . . . .
 C10 C 0.2374(2) 0.52832(9) 0.49558(13) 0.0310(3) Uani 1 1 d . . . . .
 C11 C 0.2449(2) 0.46833(9) 0.40774(13) 0.0339(4) Uani 1 1 d . . . . .
 C12 C 0.2951(3) 0.42476(9) 0.79652(14) 0.0359(4) Uani 1 1 d . . . . .
 C13 C 0.4769(3) 0.41098(11) 0.85070(16) 0.0468(4) Uani 1 1 d . . . . .
 H13 H 0.5860 0.4089 0.8041 0.056 Uiso 1 1 calc R . . . .
 C14 C 0.4985(3) 0.40034(12) 0.97331(17) 0.0569(5) Uani 1 1 d . . . . .
 H14 H 0.6215 0.3909 1.0084 0.068 Uiso 1 1 calc R . . . .
 C15 C 0.3398(4) 0.40359(11) 1.04309(16) 0.0587(6) Uani 1 1 d . . . . .
 H15 H 0.3545 0.3965 1.1255 0.070 Uiso 1 1 calc R . . . .
 C16 C 0.1589(4) 0.41732(13) 0.99097(19) 0.0635(6) Uani 1 1 d . . . . .
 H16 H 0.0509 0.4196 1.0384 0.076 Uiso 1 1 calc R . . . .
 C17 C 0.1352(3) 0.42790(12) 0.86773(17) 0.0522(5) Uani 1 1 d . . . . .
 H17 H 0.0117 0.4371 0.8332 0.063 Uiso 1 1 calc R . . . .
 N2 N 0.1961(3) 0.70660(9) 0.73490(15) 0.0532(4) Uani 1 1 d . . . . .


_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
 O1 N1 1.3963(17) . ?
 O1 C1 1.426(2) . ?
 O2 N2 1.204(2) . ?
 O3 N2 1.212(2) . ?
 O4 C11 1.2219(19) . ?
 N1 C3 1.375(2) . ?
 N1 C11 1.369(2) . ?
 C1 H1A 0.9700 . ?
 C1 H1B 0.9700 . ?
 C1 C2 1.504(3) . ?
 C2 H2A 0.9700 . ?
 C2 H2B 0.9700 . ?
 C2 C3 1.500(2) . ?
 C3 C4 1.351(2) . ?
 C4 C5 1.445(2) . ?
 C4 C12 1.493(2) . ?
 C5 C6 1.407(2) . ?
 C5 C10 1.413(2) . ?
 C6 H6 0.9300 . ?
 C6 C7 1.368(2) . ?
 C7 C8 1.392(2) . ?
 C7 N2 1.467(2) . ?
 C8 H8 0.9300 . ?
 C8 C9 1.364(2) . ?
 C9 H9 0.9300 . ?
 C9 C10 1.404(2) . ?
 C10 C11 1.465(2) . ?
 C12 C13 1.384(3) . ?
 C12 C17 1.383(2) . ?
 C13 H13 0.9300 . ?
 C13 C14 1.383(2) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.366(3) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.369(3) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.391(3) . ?
 C17 H17 0.9300 . ?

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
 N1 O1 C1 106.40(13) . . ?
 C3 N1 O1 113.72(13) . . ?
 C11 N1 O1 117.92(13) . . ?
 C11 N1 C3 128.31(13) . . ?
 O1 C1 H1A 109.8 . . ?
 O1 C1 H1B 109.8 . . ?
 O1 C1 C2 109.26(15) . . ?
 H1A C1 H1B 108.3 . . ?
 C2 C1 H1A 109.8 . . ?
 C2 C1 H1B 109.8 . . ?
 C1 C2 H2A 111.1 . . ?
 C1 C2 H2B 111.1 . . ?
 C1 C2 C3 103.22(15) . . ?
 H2A C2 H2B 109.1 . . ?
 C3 C2 H2A 111.1 . . ?
 C3 C2 H2B 111.1 . . ?
 N1 C3 C2 107.39(14) . . ?
 C4 C3 N1 120.75(15) . . ?
 C4 C3 C2 131.84(15) . . ?
 C3 C4 C5 117.01(14) . . ?
 C3 C4 C12 121.92(14) . . ?
 C5 C4 C12 121.05(14) . . ?
 C6 C5 C4 121.53(14) . . ?
 C6 C5 C10 117.88(14) . . ?
 C10 C5 C4 120.59(14) . . ?
 C5 C6 H6 120.3 . . ?
 C7 C6 C5 119.34(14) . . ?
 C7 C6 H6 120.3 . . ?
 C6 C7 C8 123.35(15) . . ?
 C6 C7 N2 118.29(15) . . ?
 C8 C7 N2 118.36(15) . . ?
 C7 C8 H8 121.0 . . ?
 C9 C8 C7 117.94(15) . . ?
 C9 C8 H8 121.0 . . ?
 C8 C9 H9 119.5 . . ?
 C8 C9 C10 120.95(15) . . ?
 C10 C9 H9 119.5 . . ?
 C5 C10 C11 121.60(14) . . ?
 C9 C10 C5 120.54(14) . . ?
 C9 C10 C11 117.86(14) . . ?
 O4 C11 N1 122.59(15) . . ?
 O4 C11 C10 125.69(15) . . ?
 N1 C11 C10 111.72(13) . . ?
 C13 C12 C4 120.04(15) . . ?
 C17 C12 C4 121.34(15) . . ?
 C17 C12 C13 118.54(16) . . ?
 C12 C13 H13 119.6 . . ?
 C14 C13 C12 120.87(18) . . ?
 C14 C13 H13 119.6 . . ?
 C13 C14 H14 119.9 . . ?
 C15 C14 C13 120.3(2) . . ?
 C15 C14 H14 119.9 . . ?
 C14 C15 H15 120.2 . . ?
 C14 C15 C16 119.64(17) . . ?
 C16 C15 H15 120.2 . . ?
 C15 C16 H16 119.7 . . ?
 C15 C16 C17 120.65(19) . . ?
 C17 C16 H16 119.7 . . ?
 C12 C17 C16 120.05(19) . . ?
 C12 C17 H17 120.0 . . ?
 C16 C17 H17 120.0 . . ?
 O2 N2 C7 118.97(16) . . ?
 O3 N2 O2 122.33(17) . . ?
 O3 N2 C7 118.67(17) . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 O1 N1 C3 C2 0.4(2) . . . . ?
 O1 N1 C3 C4 -178.35(14) . . . . ?
 O1 N1 C11 O4 -0.7(2) . . . . ?
 O1 N1 C11 C10 178.90(13) . . . . ?
 O1 C1 C2 C3 0.2(2) . . . . ?
 N1 O1 C1 C2 0.0(2) . . . . ?
 N1 C3 C4 C5 -0.1(2) . . . . ?
 N1 C3 C4 C12 -178.78(14) . . . . ?
 C1 O1 N1 C3 -0.2(2) . . . . ?
 C1 O1 N1 C11 -177.90(16) . . . . ?
 C1 C2 C3 N1 -0.4(2) . . . . ?
 C1 C2 C3 C4 178.16(19) . . . . ?
 C2 C3 C4 C5 -178.45(18) . . . . ?
 C2 C3 C4 C12 2.9(3) . . . . ?
 C3 N1 C11 O4 -178.04(16) . . . . ?
 C3 N1 C11 C10 1.6(2) . . . . ?
 C3 C4 C5 C6 179.37(14) . . . . ?
 C3 C4 C5 C10 0.2(2) . . . . ?
 C3 C4 C12 C13 77.0(2) . . . . ?
 C3 C4 C12 C17 -106.5(2) . . . . ?
 C4 C5 C6 C7 -179.44(15) . . . . ?
 C4 C5 C10 C9 179.84(14) . . . . ?
 C4 C5 C10 C11 0.5(2) . . . . ?
 C4 C12 C13 C14 176.85(17) . . . . ?
 C4 C12 C17 C16 -176.61(18) . . . . ?
 C5 C4 C12 C13 -101.66(19) . . . . ?
 C5 C4 C12 C17 74.9(2) . . . . ?
 C5 C6 C7 C8 -0.5(3) . . . . ?
 C5 C6 C7 N2 178.42(15) . . . . ?
 C5 C10 C11 O4 178.29(15) . . . . ?
 C5 C10 C11 N1 -1.3(2) . . . . ?
 C6 C5 C10 C9 0.7(2) . . . . ?
 C6 C5 C10 C11 -178.64(14) . . . . ?
 C6 C7 C8 C9 0.9(3) . . . . ?
 C6 C7 N2 O2 -5.1(3) . . . . ?
 C6 C7 N2 O3 176.6(2) . . . . ?
 C7 C8 C9 C10 -0.5(3) . . . . ?
 C8 C7 N2 O2 173.9(2) . . . . ?
 C8 C7 N2 O3 -4.4(3) . . . . ?
 C8 C9 C10 C5 -0.3(2) . . . . ?
 C8 C9 C10 C11 179.03(14) . . . . ?
 C9 C10 C11 O4 -1.0(2) . . . . ?
 C9 C10 C11 N1 179.35(13) . . . . ?
 C10 C5 C6 C7 -0.3(2) . . . . ?
 C11 N1 C3 C2 177.77(17) . . . . ?
 C11 N1 C3 C4 -1.0(3) . . . . ?
 C12 C4 C5 C6 -1.9(2) . . . . ?
 C12 C4 C5 C10 178.94(14) . . . . ?
 C12 C13 C14 C15 -0.3(3) . . . . ?
 C13 C12 C17 C16 0.0(3) . . . . ?
 C13 C14 C15 C16 0.1(3) . . . . ?
 C14 C15 C16 C17 0.1(3) . . . . ?
 C15 C16 C17 C12 -0.1(3) . . . . ?
 C17 C12 C13 C14 0.2(3) . . . . ?
 N2 C7 C8 C9 -178.04(16) . . . . ?


_olex2_date_sample_data_collection 2018-03-07
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.256
_oxdiff_exptl_absorpt_empirical_full_min 0.709
