data_mo_wsy_16_0m _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C21 H26 N2 O3' _chemical_formula_sum 'C21 H26 N2 O3' _chemical_formula_weight 354.44 _chemical_absolute_configuration unk loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 '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' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting 'Monoclinic' _symmetry_space_group_name_H-M 'P 21' _symmetry_space_group_name_Hall 'P 2yb' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 10.5788(10) _cell_length_b 7.7312(7) _cell_length_c 10.8099(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.3850(10) _cell_angle_gamma 90.00 _cell_volume 884.09(14) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 7467 _cell_measurement_theta_min 2.63 _cell_measurement_theta_max 30.02 _exptl_crystal_description 'chunk' _exptl_crystal_colour 'colourless' _exptl_crystal_size_max 0.52 _exptl_crystal_size_mid 0.33 _exptl_crystal_size_min 0.32 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.331 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 380 _exptl_absorpt_coefficient_mu 0.089 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.9551 _exptl_absorpt_correction_T_max 0.9720 _exptl_absorpt_process_details 'sadabs' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 9423 _diffrn_reflns_av_R_equivalents 0.0182 _diffrn_reflns_av_sigmaI/netI 0.0251 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.88 _diffrn_reflns_theta_max 30.02 _reflns_number_total 4855 _reflns_number_gt 4741 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0542P)^2^+0.1061P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.2(6) _refine_ls_number_reflns 4855 _refine_ls_number_parameters 239 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0318 _refine_ls_R_factor_gt 0.0310 _refine_ls_wR_factor_ref 0.0843 _refine_ls_wR_factor_gt 0.0836 _refine_ls_goodness_of_fit_ref 1.080 _refine_ls_restrained_S_all 1.079 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group O25 O 0.49655(7) 0.44572(10) 0.20126(7) 0.01589(15) Uani 1 1 d . . . O23 O 0.57857(8) 0.26436(12) 0.06058(8) 0.02236(18) Uani 1 1 d . . . O17 O 0.92996(7) 0.26882(10) 0.23138(7) 0.01535(15) Uani 1 1 d . . . N1 N 0.80891(8) 0.50003(11) 0.40945(8) 0.01177(16) Uani 1 1 d . . . C11 C 0.83757(10) 0.47676(15) 0.75227(9) 0.0184(2) Uani 1 1 d . . . H11 H 0.8856 0.5159 0.8214 0.022 Uiso 1 1 calc R . . C8 C 0.69512(9) 0.35576(13) 0.55275(9) 0.01249(18) Uani 1 1 d . . . C18 C 1.05054(10) 0.41700(16) 0.07122(10) 0.0189(2) Uani 1 1 d . . . H18A H 1.1046 0.3143 0.0660 0.028 Uiso 1 1 calc R . . H18B H 1.1012 0.5208 0.0558 0.028 Uiso 1 1 calc R . . H18C H 0.9829 0.4090 0.0091 0.028 Uiso 1 1 calc R . . C19 C 0.99273(9) 0.42772(14) 0.20017(9) 0.01384(18) Uani 1 1 d . . . H19 H 1.0644 0.4420 0.2601 0.017 Uiso 1 1 calc R . . C20 C 0.90692(9) 0.58637(13) 0.21487(9) 0.01210(17) Uani 1 1 d . . . H20 H 0.9497 0.6862 0.1738 0.015 Uiso 1 1 calc R . . C21 C 0.88349(9) 0.63730(12) 0.34997(9) 0.01209(17) Uani 1 1 d . . . H21 H 0.9668 0.6470 0.3936 0.015 Uiso 1 1 calc R . . C13 C 0.79770(9) 0.47074(13) 0.53547(9) 0.01229(17) Uani 1 1 d . . . C12 C 0.87081(10) 0.53133(14) 0.63467(9) 0.01530(19) Uani 1 1 d . . . H12 H 0.9404 0.6068 0.6220 0.018 Uiso 1 1 calc R . . C10 C 0.73464(11) 0.36497(16) 0.77198(10) 0.0201(2) Uani 1 1 d . . . H10 H 0.7139 0.3313 0.8539 0.024 Uiso 1 1 calc R . . C25 C 0.37297(10) 0.41341(17) 0.14758(11) 0.0214(2) Uani 1 1 d . . . H25A H 0.3699 0.4598 0.0632 0.032 Uiso 1 1 calc R . . H25B H 0.3082 0.4700 0.1978 0.032 Uiso 1 1 calc R . . H25C H 0.3571 0.2886 0.1454 0.032 Uiso 1 1 calc R . . C23 C 0.59152(9) 0.35890(13) 0.14876(9) 0.01397(18) Uani 1 1 d . . . C16 C 0.71898(9) 0.39597(13) 0.20937(8) 0.01119(17) Uani 1 1 d . . . C15 C 0.77715(9) 0.56280(13) 0.15216(9) 0.01202(17) Uani 1 1 d . . . H15 H 0.7913 0.5411 0.0621 0.014 Uiso 1 1 calc R . . C14 C 0.70048(10) 0.73024(13) 0.16461(9) 0.01409(18) Uani 1 1 d . . . H14A H 0.7387 0.8203 0.1116 0.017 Uiso 1 1 calc R . . H14B H 0.6134 0.7093 0.1341 0.017 Uiso 1 1 calc R . . C3 C 0.69442(10) 0.79748(14) 0.29701(9) 0.01468(18) Uani 1 1 d . . . H3A H 0.6554 0.9138 0.2976 0.018 Uiso 1 1 calc R . . H3B H 0.6414 0.7194 0.3474 0.018 Uiso 1 1 calc R . . N22 N 0.82210(8) 0.80666(11) 0.35046(8) 0.01372(16) Uani 1 1 d . . . C24 C 0.82324(10) 0.89330(14) 0.47048(10) 0.01750(19) Uani 1 1 d . . . H24A H 0.7647 0.8345 0.5264 0.026 Uiso 1 1 calc R . . H24B H 0.7970 1.0140 0.4600 0.026 Uiso 1 1 calc R . . H24C H 0.9088 0.8896 0.5056 0.026 Uiso 1 1 calc R . . C2 C 0.71450(9) 0.40525(13) 0.34848(9) 0.01143(17) Uani 1 1 d . . . C7 C 0.64366(9) 0.31442(13) 0.43295(9) 0.01240(17) Uani 1 1 d . . . C6 C 0.53340(9) 0.19556(14) 0.41256(10) 0.01577(19) Uani 1 1 d . . . H6A H 0.4546 0.2584 0.4279 0.024 Uiso 1 1 calc R . . H6B H 0.5397 0.0972 0.4694 0.024 Uiso 1 1 calc R . . H6C H 0.5338 0.1535 0.3271 0.024 Uiso 1 1 calc R . . C9 C 0.66319(10) 0.30340(14) 0.67344(9) 0.01642(19) Uani 1 1 d . . . H9 H 0.5941 0.2274 0.6870 0.020 Uiso 1 1 calc R . . C17 C 0.81010(9) 0.24688(13) 0.17405(10) 0.01485(18) Uani 1 1 d . . . H17A H 0.7733 0.1350 0.2001 0.018 Uiso 1 1 calc R . . H17B H 0.8204 0.2442 0.0831 0.018 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O25 0.0116(3) 0.0187(4) 0.0173(3) -0.0047(3) -0.0025(3) 0.0010(3) O23 0.0197(4) 0.0288(4) 0.0185(4) -0.0108(3) -0.0013(3) -0.0013(3) O17 0.0128(3) 0.0153(3) 0.0180(3) 0.0021(3) -0.0002(3) 0.0025(3) N1 0.0115(3) 0.0135(4) 0.0103(3) 0.0002(3) -0.0003(3) -0.0026(3) C11 0.0222(5) 0.0221(5) 0.0110(4) -0.0004(4) -0.0032(4) -0.0001(4) C8 0.0121(4) 0.0124(4) 0.0130(4) 0.0010(3) 0.0005(3) 0.0003(3) C18 0.0156(4) 0.0256(5) 0.0155(4) 0.0009(4) 0.0045(3) 0.0028(4) C19 0.0118(4) 0.0167(5) 0.0131(4) 0.0010(3) 0.0018(3) 0.0015(3) C20 0.0109(4) 0.0137(4) 0.0118(4) 0.0009(3) 0.0019(3) 0.0003(3) C21 0.0115(4) 0.0120(4) 0.0128(4) 0.0010(3) 0.0013(3) -0.0018(3) C13 0.0130(4) 0.0135(4) 0.0104(4) 0.0010(3) 0.0005(3) 0.0003(3) C12 0.0152(4) 0.0175(5) 0.0132(4) -0.0002(3) -0.0015(3) -0.0014(3) C10 0.0236(5) 0.0255(5) 0.0113(4) 0.0038(4) 0.0013(4) -0.0006(4) C25 0.0128(4) 0.0275(6) 0.0239(5) -0.0047(4) -0.0053(4) -0.0003(4) C23 0.0132(4) 0.0158(4) 0.0129(4) 0.0001(3) -0.0004(3) -0.0012(3) C16 0.0103(4) 0.0128(4) 0.0104(4) -0.0014(3) -0.0001(3) -0.0001(3) C15 0.0118(4) 0.0138(4) 0.0104(4) 0.0011(3) 0.0005(3) 0.0005(3) C14 0.0148(4) 0.0136(4) 0.0138(4) 0.0018(3) -0.0011(3) 0.0019(3) C3 0.0143(4) 0.0137(4) 0.0160(4) 0.0003(4) 0.0011(3) 0.0014(3) N22 0.0148(4) 0.0115(4) 0.0149(4) -0.0015(3) 0.0004(3) -0.0006(3) C24 0.0199(4) 0.0149(5) 0.0177(4) -0.0033(4) 0.0013(4) -0.0013(4) C2 0.0109(4) 0.0114(4) 0.0120(4) -0.0005(3) -0.0004(3) -0.0001(3) C7 0.0119(4) 0.0123(4) 0.0130(4) -0.0002(3) 0.0007(3) 0.0001(3) C6 0.0139(4) 0.0162(4) 0.0172(4) -0.0005(4) 0.0015(3) -0.0033(4) C9 0.0160(4) 0.0183(5) 0.0150(4) 0.0040(4) 0.0022(3) -0.0001(4) C17 0.0145(4) 0.0148(4) 0.0153(4) -0.0023(4) 0.0012(3) 0.0017(3) _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 O25 C23 1.3377(12) . ? O25 C25 1.4485(12) . ? O23 C23 1.2083(13) . ? O17 C17 1.4177(12) . ? O17 C19 1.4378(12) . ? N1 C13 1.3868(12) . ? N1 C2 1.4000(12) . ? N1 C21 1.4728(12) . ? C11 C12 1.3869(14) . ? C11 C10 1.4075(16) . ? C11 H11 0.9500 . ? C8 C9 1.4093(13) . ? C8 C13 1.4161(13) . ? C8 C7 1.4374(13) . ? C18 C19 1.5282(14) . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 C20 1.5348(14) . ? C19 H19 1.0000 . ? C20 C21 1.5344(14) . ? C20 C15 1.5378(13) . ? C20 H20 1.0000 . ? C21 N22 1.4615(13) . ? C21 H21 1.0000 . ? C13 C12 1.3988(13) . ? C12 H12 0.9500 . ? C10 C9 1.3863(15) . ? C10 H10 0.9500 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? C23 C16 1.5224(13) . ? C16 C2 1.5065(13) . ? C16 C17 1.5520(13) . ? C16 C15 1.5588(14) . ? C15 C14 1.5340(14) . ? C15 H15 1.0000 . ? C14 C3 1.5245(14) . ? C14 H14A 0.9900 . ? C14 H14B 0.9900 . ? C3 N22 1.4672(13) . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? N22 C24 1.4601(13) . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C2 C7 1.3776(13) . ? C7 C6 1.5000(14) . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C9 H9 0.9500 . ? C17 H17A 0.9900 . ? C17 H17B 0.9900 . ? 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 C23 O25 C25 114.96(8) . . ? C17 O17 C19 114.38(8) . . ? C13 N1 C2 108.15(8) . . ? C13 N1 C21 126.59(8) . . ? C2 N1 C21 123.66(8) . . ? C12 C11 C10 121.78(10) . . ? C12 C11 H11 119.1 . . ? C10 C11 H11 119.1 . . ? C9 C8 C13 119.41(9) . . ? C9 C8 C7 132.73(9) . . ? C13 C8 C7 107.85(8) . . ? C19 C18 H18A 109.5 . . ? C19 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C19 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? O17 C19 C18 110.86(9) . . ? O17 C19 C20 112.59(8) . . ? C18 C19 C20 112.23(8) . . ? O17 C19 H19 106.9 . . ? C18 C19 H19 106.9 . . ? C20 C19 H19 106.9 . . ? C21 C20 C19 113.77(8) . . ? C21 C20 C15 107.49(7) . . ? C19 C20 C15 112.74(8) . . ? C21 C20 H20 107.5 . . ? C19 C20 H20 107.5 . . ? C15 C20 H20 107.5 . . ? N22 C21 N1 113.87(8) . . ? N22 C21 C20 107.93(8) . . ? N1 C21 C20 108.73(8) . . ? N22 C21 H21 108.7 . . ? N1 C21 H21 108.7 . . ? C20 C21 H21 108.7 . . ? N1 C13 C12 130.38(9) . . ? N1 C13 C8 107.63(8) . . ? C12 C13 C8 121.96(9) . . ? C11 C12 C13 117.30(10) . . ? C11 C12 H12 121.4 . . ? C13 C12 H12 121.4 . . ? C9 C10 C11 120.86(9) . . ? C9 C10 H10 119.6 . . ? C11 C10 H10 119.6 . . ? O25 C25 H25A 109.5 . . ? O25 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? O25 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? O23 C23 O25 123.83(9) . . ? O23 C23 C16 123.29(9) . . ? O25 C23 C16 112.86(8) . . ? C2 C16 C23 113.89(8) . . ? C2 C16 C17 107.74(8) . . ? C23 C16 C17 107.70(8) . . ? C2 C16 C15 111.82(8) . . ? C23 C16 C15 109.63(8) . . ? C17 C16 C15 105.63(7) . . ? C14 C15 C20 109.40(8) . . ? C14 C15 C16 116.94(8) . . ? C20 C15 C16 106.07(8) . . ? C14 C15 H15 108.0 . . ? C20 C15 H15 108.0 . . ? C16 C15 H15 108.0 . . ? C3 C14 C15 113.31(8) . . ? C3 C14 H14A 108.9 . . ? C15 C14 H14A 108.9 . . ? C3 C14 H14B 108.9 . . ? C15 C14 H14B 108.9 . . ? H14A C14 H14B 107.7 . . ? N22 C3 C14 109.98(8) . . ? N22 C3 H3A 109.7 . . ? C14 C3 H3A 109.7 . . ? N22 C3 H3B 109.7 . . ? C14 C3 H3B 109.7 . . ? H3A C3 H3B 108.2 . . ? C24 N22 C21 114.40(8) . . ? C24 N22 C3 111.97(8) . . ? C21 N22 C3 111.29(8) . . ? N22 C24 H24A 109.5 . . ? N22 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? N22 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C7 C2 N1 110.14(8) . . ? C7 C2 C16 131.16(9) . . ? N1 C2 C16 117.89(8) . . ? C2 C7 C8 106.23(9) . . ? C2 C7 C6 129.86(9) . . ? C8 C7 C6 123.91(9) . . ? C7 C6 H6A 109.5 . . ? C7 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C7 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C10 C9 C8 118.67(10) . . ? C10 C9 H9 120.7 . . ? C8 C9 H9 120.7 . . ? O17 C17 C16 111.02(8) . . ? O17 C17 H17A 109.4 . . ? C16 C17 H17A 109.4 . . ? O17 C17 H17B 109.4 . . ? C16 C17 H17B 109.4 . . ? H17A C17 H17B 108.0 . . ? 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 C17 O17 C19 C18 -77.10(10) . . . . ? C17 O17 C19 C20 49.55(10) . . . . ? O17 C19 C20 C21 73.73(10) . . . . ? C18 C19 C20 C21 -160.35(8) . . . . ? O17 C19 C20 C15 -49.00(10) . . . . ? C18 C19 C20 C15 76.92(10) . . . . ? C13 N1 C21 N22 -79.06(12) . . . . ? C2 N1 C21 N22 84.78(12) . . . . ? C13 N1 C21 C20 160.57(9) . . . . ? C2 N1 C21 C20 -35.58(12) . . . . ? C19 C20 C21 N22 169.20(8) . . . . ? C15 C20 C21 N22 -65.23(9) . . . . ? C19 C20 C21 N1 -66.83(10) . . . . ? C15 C20 C21 N1 58.74(10) . . . . ? C2 N1 C13 C12 178.13(10) . . . . ? C21 N1 C13 C12 -15.98(17) . . . . ? C2 N1 C13 C8 0.17(11) . . . . ? C21 N1 C13 C8 166.06(9) . . . . ? C9 C8 C13 N1 179.71(9) . . . . ? C7 C8 C13 N1 0.25(11) . . . . ? C9 C8 C13 C12 1.55(15) . . . . ? C7 C8 C13 C12 -177.92(9) . . . . ? C10 C11 C12 C13 0.00(16) . . . . ? N1 C13 C12 C11 -178.86(10) . . . . ? C8 C13 C12 C11 -1.16(15) . . . . ? C12 C11 C10 C9 0.77(18) . . . . ? C25 O25 C23 O23 2.39(15) . . . . ? C25 O25 C23 C16 -179.41(9) . . . . ? O23 C23 C16 C2 -140.52(11) . . . . ? O25 C23 C16 C2 41.26(12) . . . . ? O23 C23 C16 C17 -21.10(13) . . . . ? O25 C23 C16 C17 160.68(8) . . . . ? O23 C23 C16 C15 93.36(12) . . . . ? O25 C23 C16 C15 -84.86(10) . . . . ? C21 C20 C15 C14 57.08(10) . . . . ? C19 C20 C15 C14 -176.74(8) . . . . ? C21 C20 C15 C16 -69.88(9) . . . . ? C19 C20 C15 C16 56.29(10) . . . . ? C2 C16 C15 C14 -67.52(10) . . . . ? C23 C16 C15 C14 59.77(11) . . . . ? C17 C16 C15 C14 175.55(8) . . . . ? C2 C16 C15 C20 54.77(10) . . . . ? C23 C16 C15 C20 -177.94(8) . . . . ? C17 C16 C15 C20 -62.16(9) . . . . ? C20 C15 C14 C3 -51.21(10) . . . . ? C16 C15 C14 C3 69.33(11) . . . . ? C15 C14 C3 N22 50.78(11) . . . . ? N1 C21 N22 C24 74.45(10) . . . . ? C20 C21 N22 C24 -164.74(8) . . . . ? N1 C21 N22 C3 -53.70(11) . . . . ? C20 C21 N22 C3 67.10(9) . . . . ? C14 C3 N22 C24 171.81(8) . . . . ? C14 C3 N22 C21 -58.74(10) . . . . ? C13 N1 C2 C7 -0.55(12) . . . . ? C21 N1 C2 C7 -166.95(9) . . . . ? C13 N1 C2 C16 -171.41(8) . . . . ? C21 N1 C2 C16 22.19(14) . . . . ? C23 C16 C2 C7 35.36(15) . . . . ? C17 C16 C2 C7 -84.04(13) . . . . ? C15 C16 C2 C7 160.32(10) . . . . ? C23 C16 C2 N1 -156.08(9) . . . . ? C17 C16 C2 N1 84.53(11) . . . . ? C15 C16 C2 N1 -31.12(12) . . . . ? N1 C2 C7 C8 0.69(11) . . . . ? C16 C2 C7 C8 169.94(10) . . . . ? N1 C2 C7 C6 -179.86(10) . . . . ? C16 C2 C7 C6 -10.62(18) . . . . ? C9 C8 C7 C2 -179.94(11) . . . . ? C13 C8 C7 C2 -0.57(11) . . . . ? C9 C8 C7 C6 0.57(18) . . . . ? C13 C8 C7 C6 179.94(9) . . . . ? C11 C10 C9 C8 -0.38(17) . . . . ? C13 C8 C9 C10 -0.74(15) . . . . ? C7 C8 C9 C10 178.56(11) . . . . ? C19 O17 C17 C16 -59.12(10) . . . . ? C2 C16 C17 O17 -54.41(10) . . . . ? C23 C16 C17 O17 -177.67(8) . . . . ? C15 C16 C17 O17 65.24(10) . . . . ? _diffrn_measured_fraction_theta_max 0.968 _diffrn_reflns_theta_full 30.02 _diffrn_measured_fraction_theta_full 0.968 _refine_diff_density_max 0.270 _refine_diff_density_min -0.271 _refine_diff_density_rms 0.054