data_a _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C24 H25 Cl N2 O4' _chemical_formula_sum 'C24 H25 Cl N2 O4' _chemical_formula_weight 440.91 _chemical_absolute_configuration ad 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' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 11.939(2) _cell_length_b 12.451(3) _cell_length_c 15.057(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2238.4(8) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 7936 _cell_measurement_theta_min 1.3524 _cell_measurement_theta_max 27.4808 _exptl_crystal_description 'rod' _exptl_crystal_colour 'Colorless' _exptl_crystal_size_max 0.24 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.11 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.308 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 928 _exptl_absorpt_coefficient_mu 0.204 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.7961 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details 'CrystalClear (Rigaku Inc., 2008)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Rotating Anode' _diffrn_radiation_monochromator 'Confocal' _diffrn_measurement_device_type 'MM007HF + CCD (Saturn724+)' _diffrn_measurement_method '\w scans at fixed \c = 45\%' _diffrn_detector_area_resol_mean 28.5714 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 14074 _diffrn_reflns_av_R_equivalents 0.0388 _diffrn_reflns_av_sigmaI/netI 0.0391 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.12 _diffrn_reflns_theta_max 27.48 _reflns_number_total 5118 _reflns_number_gt 4928 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrystalClear (Rigaku Inc., 2008)' _computing_cell_refinement 'CrystalClear (Rigaku Inc., 2008)' _computing_data_reduction 'CrystalClear (Rigaku Inc., 2008)' _computing_structure_solution 'SHELX-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELX-97 (Sheldrick, 2008)' _computing_molecular_graphics ; Mercury: visualization and analysis of crystal structures, C. F. Macrae, P. R. Edgington, P. McCabe, E. Pidcock, G. P. Shields, R. Taylor, M. Towler and J. van de Streek, J. Appl. Cryst., 39, 453-457, 2006. ; _computing_publication_material 'SHELX-97 (Sheldrick, 2008)' _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^)+(0.0334P)^2^+0.7090P] 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 0.03(5) _refine_ls_number_reflns 5118 _refine_ls_number_parameters 285 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0406 _refine_ls_R_factor_gt 0.0388 _refine_ls_wR_factor_ref 0.0865 _refine_ls_wR_factor_gt 0.0851 _refine_ls_goodness_of_fit_ref 1.048 _refine_ls_restrained_S_all 1.048 _refine_ls_shift/su_max 0.001 _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 Cl1 Cl 0.84280(4) 0.61007(4) 0.18774(3) 0.02972(11) Uani 1 1 d . . . O1 O 0.54490(10) 0.08885(9) 0.27418(9) 0.0243(3) Uani 1 1 d . . . O2 O 0.49714(11) 0.24760(12) 0.09285(9) 0.0310(3) Uani 1 1 d . . . O3 O 0.32380(10) 0.30155(10) 0.14041(8) 0.0232(3) Uani 1 1 d . . . O4 O 0.31198(10) 0.35602(10) 0.32411(9) 0.0253(3) Uani 1 1 d . . . N1 N 0.72146(12) 0.16382(11) 0.26933(10) 0.0200(3) Uani 1 1 d . . . N2 N 0.46606(11) 0.30894(11) 0.23290(10) 0.0195(3) Uani 1 1 d . . . C1 C 0.81115(15) 0.47645(13) 0.21283(12) 0.0218(4) Uani 1 1 d . . . C2 C 0.89730(14) 0.40253(15) 0.21701(12) 0.0243(4) Uani 1 1 d . . . H2 H 0.9722 0.4249 0.2062 0.029 Uiso 1 1 calc R . . C3 C 0.87496(14) 0.29509(14) 0.23699(12) 0.0226(4) Uani 1 1 d . . . H3 H 0.9333 0.2433 0.2397 0.027 Uiso 1 1 calc R . . C4 C 0.76494(14) 0.26722(13) 0.25261(11) 0.0186(3) Uani 1 1 d . . . C5 C 0.67805(13) 0.34232(13) 0.25001(11) 0.0188(3) Uani 1 1 d . . . C6 C 0.69970(14) 0.44819(14) 0.22908(12) 0.0210(3) Uani 1 1 d . . . H6 H 0.6412 0.4998 0.2258 0.025 Uiso 1 1 calc R . . C7 C 0.57255(13) 0.28525(13) 0.27609(12) 0.0180(3) Uani 1 1 d . . . C8 C 0.60679(14) 0.16574(13) 0.27225(12) 0.0193(3) Uani 1 1 d . . . C9 C 0.78881(15) 0.06653(14) 0.27276(14) 0.0274(4) Uani 1 1 d . . . H9A H 0.7403 0.0048 0.2852 0.041 Uiso 1 1 calc R . . H9C H 0.8450 0.0732 0.3198 0.041 Uiso 1 1 calc R . . H9B H 0.8264 0.0560 0.2156 0.041 Uiso 1 1 calc R . . C10 C 0.51220(13) 0.31715(13) 0.36873(12) 0.0191(3) Uani 1 1 d . . . C11 C 0.40775(14) 0.33171(13) 0.31098(12) 0.0196(3) Uani 1 1 d . . . C12 C 0.43280(14) 0.28247(14) 0.14700(12) 0.0219(4) Uani 1 1 d . . . C13 C 0.25787(15) 0.27267(14) 0.06051(12) 0.0226(4) Uani 1 1 d . . . C14 C 0.27106(19) 0.15452(16) 0.03965(16) 0.0380(5) Uani 1 1 d . . . H14B H 0.2566 0.1122 0.0933 0.057 Uiso 1 1 calc R . . H14C H 0.3475 0.1408 0.0189 0.057 Uiso 1 1 calc R . . H14A H 0.2176 0.1340 -0.0068 0.057 Uiso 1 1 calc R . . C15 C 0.29191(17) 0.34423(18) -0.01586(14) 0.0337(5) Uani 1 1 d . . . H15B H 0.3681 0.3260 -0.0347 0.051 Uiso 1 1 calc R . . H15C H 0.2895 0.4195 0.0032 0.051 Uiso 1 1 calc R . . H15A H 0.2402 0.3337 -0.0656 0.051 Uiso 1 1 calc R . . C16 C 0.14003(15) 0.29610(16) 0.09220(13) 0.0287(4) Uani 1 1 d . . . H16A H 0.0867 0.2804 0.0444 0.043 Uiso 1 1 calc R . . H16C H 0.1341 0.3720 0.1088 0.043 Uiso 1 1 calc R . . H16B H 0.1230 0.2511 0.1439 0.043 Uiso 1 1 calc R . . C17 C 0.55030(15) 0.42420(14) 0.40888(13) 0.0231(4) Uani 1 1 d . . . H17B H 0.6281 0.4170 0.4308 0.028 Uiso 1 1 calc R . . H17A H 0.5496 0.4802 0.3622 0.028 Uiso 1 1 calc R . . C18 C 0.47440(16) 0.45883(16) 0.48530(13) 0.0288(4) Uani 1 1 d . . . H18A H 0.3971 0.4646 0.4640 0.043 Uiso 1 1 calc R . . H18C H 0.4992 0.5287 0.5079 0.043 Uiso 1 1 calc R . . H18B H 0.4782 0.4054 0.5330 0.043 Uiso 1 1 calc R . . C19 C 0.50548(14) 0.22815(13) 0.43711(11) 0.0194(3) Uani 1 1 d . . . C20 C 0.40538(15) 0.17595(15) 0.45555(14) 0.0272(4) Uani 1 1 d . . . H20 H 0.3393 0.1957 0.4245 0.033 Uiso 1 1 calc R . . C21 C 0.40106(18) 0.09544(17) 0.51869(15) 0.0356(5) Uani 1 1 d . . . H21 H 0.3321 0.0603 0.5306 0.043 Uiso 1 1 calc R . . C22 C 0.49608(18) 0.06589(17) 0.56437(14) 0.0341(5) Uani 1 1 d . . . H22 H 0.4929 0.0101 0.6073 0.041 Uiso 1 1 calc R . . C23 C 0.59616(18) 0.11785(17) 0.54749(14) 0.0320(4) Uani 1 1 d . . . H23 H 0.6618 0.0982 0.5792 0.038 Uiso 1 1 calc R . . C24 C 0.60077(15) 0.19893(15) 0.48410(13) 0.0263(4) Uani 1 1 d . . . H24 H 0.6697 0.2346 0.4729 0.032 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 Cl1 0.0270(2) 0.02370(19) 0.0385(3) 0.0037(2) 0.0031(2) -0.00489(18) O1 0.0211(6) 0.0211(6) 0.0305(7) -0.0050(5) 0.0011(5) -0.0043(5) O2 0.0214(6) 0.0467(8) 0.0249(7) -0.0113(6) 0.0017(5) 0.0063(6) O3 0.0168(6) 0.0311(6) 0.0216(6) -0.0050(5) -0.0041(5) 0.0037(5) O4 0.0173(6) 0.0317(7) 0.0269(7) 0.0007(6) 0.0017(5) 0.0059(5) N1 0.0163(7) 0.0176(7) 0.0261(8) -0.0020(6) 0.0009(6) 0.0020(6) N2 0.0146(6) 0.0232(7) 0.0209(7) -0.0036(6) -0.0006(6) 0.0017(6) C1 0.0219(8) 0.0201(8) 0.0233(9) -0.0011(7) 0.0009(7) -0.0027(7) C2 0.0169(7) 0.0299(9) 0.0260(9) -0.0036(8) 0.0043(7) -0.0032(7) C3 0.0159(8) 0.0255(9) 0.0263(9) -0.0041(8) 0.0009(7) 0.0024(7) C4 0.0170(7) 0.0195(8) 0.0192(8) -0.0032(7) -0.0001(6) 0.0007(6) C5 0.0136(7) 0.0227(8) 0.0201(8) -0.0028(7) 0.0003(6) 0.0002(7) C6 0.0188(8) 0.0229(8) 0.0215(8) -0.0010(7) 0.0016(7) 0.0031(6) C7 0.0135(7) 0.0200(8) 0.0207(8) -0.0029(7) -0.0010(6) 0.0010(6) C8 0.0177(7) 0.0214(8) 0.0189(8) -0.0051(7) 0.0012(7) 0.0016(7) C9 0.0221(9) 0.0214(8) 0.0389(11) -0.0045(8) -0.0024(8) 0.0044(7) C10 0.0146(7) 0.0203(8) 0.0224(8) -0.0038(7) 0.0005(7) 0.0003(6) C11 0.0192(8) 0.0172(7) 0.0226(8) -0.0006(7) 0.0013(7) -0.0012(6) C12 0.0174(8) 0.0248(8) 0.0234(9) -0.0002(7) -0.0008(7) 0.0015(7) C13 0.0219(8) 0.0249(9) 0.0210(9) -0.0028(7) -0.0063(7) 0.0014(7) C14 0.0401(11) 0.0265(10) 0.0475(13) -0.0095(9) -0.0145(10) 0.0054(9) C15 0.0323(10) 0.0434(11) 0.0254(10) 0.0057(9) -0.0013(8) 0.0020(9) C16 0.0215(9) 0.0370(10) 0.0275(10) 0.0009(9) -0.0049(7) 0.0018(8) C17 0.0213(8) 0.0205(8) 0.0275(9) -0.0052(7) 0.0026(7) -0.0009(7) C18 0.0271(9) 0.0288(9) 0.0305(10) -0.0107(8) 0.0052(8) -0.0018(8) C19 0.0188(8) 0.0198(8) 0.0195(8) -0.0045(7) -0.0007(7) 0.0010(6) C20 0.0194(8) 0.0279(9) 0.0341(10) 0.0017(8) 0.0005(7) 0.0003(7) C21 0.0305(10) 0.0341(11) 0.0423(12) 0.0097(10) 0.0102(9) 0.0010(9) C22 0.0431(12) 0.0319(10) 0.0272(10) 0.0077(8) 0.0065(9) 0.0080(9) C23 0.0363(10) 0.0311(9) 0.0285(10) 0.0003(9) -0.0081(8) 0.0079(9) C24 0.0226(8) 0.0265(9) 0.0297(10) -0.0040(8) -0.0052(8) -0.0014(7) _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 Cl1 C1 1.7474(18) . ? O1 C8 1.210(2) . ? O2 C12 1.201(2) . ? O3 C12 1.327(2) . ? O3 C13 1.482(2) . ? O4 C11 1.199(2) . ? N1 C8 1.370(2) . ? N1 C4 1.411(2) . ? N1 C9 1.455(2) . ? N2 C12 1.393(2) . ? N2 C11 1.395(2) . ? N2 C7 1.458(2) . ? C1 C2 1.382(2) . ? C1 C6 1.398(2) . ? C2 C3 1.397(3) . ? C2 H2 0.9500 . ? C3 C4 1.379(2) . ? C3 H3 0.9500 . ? C4 C5 1.397(2) . ? C5 C6 1.380(2) . ? C5 C7 1.499(2) . ? C6 H6 0.9500 . ? C7 C8 1.544(2) . ? C7 C10 1.619(2) . ? C9 H9A 0.9800 . ? C9 H9C 0.9800 . ? C9 H9B 0.9800 . ? C10 C19 1.515(2) . ? C10 C11 1.531(2) . ? C10 C17 1.533(2) . ? C13 C15 1.510(3) . ? C13 C14 1.512(3) . ? C13 C16 1.514(2) . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C14 H14A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C15 H15A 0.9800 . ? C16 H16A 0.9800 . ? C16 H16C 0.9800 . ? C16 H16B 0.9800 . ? C17 C18 1.527(3) . ? C17 H17B 0.9900 . ? C17 H17A 0.9900 . ? C18 H18A 0.9800 . ? C18 H18C 0.9800 . ? C18 H18B 0.9800 . ? C19 C24 1.388(2) . ? C19 C20 1.388(2) . ? C20 C21 1.383(3) . ? C20 H20 0.9500 . ? C21 C22 1.377(3) . ? C21 H21 0.9500 . ? C22 C23 1.382(3) . ? C22 H22 0.9500 . ? C23 C24 1.390(3) . ? C23 H23 0.9500 . ? C24 H24 0.9500 . ? 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 C12 O3 C13 122.57(14) . . ? C8 N1 C4 110.94(14) . . ? C8 N1 C9 124.45(15) . . ? C4 N1 C9 124.25(14) . . ? C12 N2 C11 133.50(14) . . ? C12 N2 C7 127.95(14) . . ? C11 N2 C7 95.76(13) . . ? C2 C1 C6 122.21(16) . . ? C2 C1 Cl1 118.88(13) . . ? C6 C1 Cl1 118.91(14) . . ? C1 C2 C3 120.37(16) . . ? C1 C2 H2 119.8 . . ? C3 C2 H2 119.8 . . ? C4 C3 C2 117.37(16) . . ? C4 C3 H3 121.3 . . ? C2 C3 H3 121.3 . . ? C3 C4 C5 122.29(16) . . ? C3 C4 N1 127.63(15) . . ? C5 C4 N1 110.04(14) . . ? C6 C5 C4 120.45(15) . . ? C6 C5 C7 132.09(15) . . ? C4 C5 C7 107.42(14) . . ? C5 C6 C1 117.31(16) . . ? C5 C6 H6 121.3 . . ? C1 C6 H6 121.3 . . ? N2 C7 C5 121.34(14) . . ? N2 C7 C8 114.14(14) . . ? C5 C7 C8 102.98(13) . . ? N2 C7 C10 86.94(12) . . ? C5 C7 C10 118.91(13) . . ? C8 C7 C10 112.72(14) . . ? O1 C8 N1 126.68(16) . . ? O1 C8 C7 126.87(15) . . ? N1 C8 C7 106.41(14) . . ? N1 C9 H9A 109.5 . . ? N1 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? N1 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? H9C C9 H9B 109.5 . . ? C19 C10 C11 115.44(14) . . ? C19 C10 C17 112.57(15) . . ? C11 C10 C17 111.27(14) . . ? C19 C10 C7 115.45(13) . . ? C11 C10 C7 84.39(12) . . ? C17 C10 C7 114.90(14) . . ? O4 C11 N2 131.75(17) . . ? O4 C11 C10 135.47(17) . . ? N2 C11 C10 92.76(13) . . ? O2 C12 O3 129.88(17) . . ? O2 C12 N2 122.24(16) . . ? O3 C12 N2 107.87(14) . . ? O3 C13 C15 109.39(15) . . ? O3 C13 C14 110.44(15) . . ? C15 C13 C14 112.81(17) . . ? O3 C13 C16 101.00(14) . . ? C15 C13 C16 112.11(16) . . ? C14 C13 C16 110.46(16) . . ? C13 C14 H14B 109.5 . . ? C13 C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C13 C14 H14A 109.5 . . ? H14B C14 H14A 109.5 . . ? H14C C14 H14A 109.5 . . ? C13 C15 H15B 109.5 . . ? C13 C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C13 C15 H15A 109.5 . . ? H15B C15 H15A 109.5 . . ? H15C C15 H15A 109.5 . . ? C13 C16 H16A 109.5 . . ? C13 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? C13 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? H16C C16 H16B 109.5 . . ? C18 C17 C10 111.51(15) . . ? C18 C17 H17B 109.3 . . ? C10 C17 H17B 109.3 . . ? C18 C17 H17A 109.3 . . ? C10 C17 H17A 109.3 . . ? H17B C17 H17A 108.0 . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? H18C C18 H18B 109.5 . . ? C24 C19 C20 118.74(17) . . ? C24 C19 C10 119.65(15) . . ? C20 C19 C10 121.60(15) . . ? C21 C20 C19 120.60(18) . . ? C21 C20 H20 119.7 . . ? C19 C20 H20 119.7 . . ? C22 C21 C20 120.43(19) . . ? C22 C21 H21 119.8 . . ? C20 C21 H21 119.8 . . ? C21 C22 C23 119.69(19) . . ? C21 C22 H22 120.2 . . ? C23 C22 H22 120.2 . . ? C22 C23 C24 120.02(19) . . ? C22 C23 H23 120.0 . . ? C24 C23 H23 120.0 . . ? C19 C24 C23 120.51(18) . . ? C19 C24 H24 119.7 . . ? C23 C24 H24 119.7 . . ? 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 C6 C1 C2 C3 0.7(3) . . . . ? Cl1 C1 C2 C3 179.94(15) . . . . ? C1 C2 C3 C4 -0.4(3) . . . . ? C2 C3 C4 C5 -0.8(3) . . . . ? C2 C3 C4 N1 176.46(17) . . . . ? C8 N1 C4 C3 -173.49(18) . . . . ? C9 N1 C4 C3 0.0(3) . . . . ? C8 N1 C4 C5 4.0(2) . . . . ? C9 N1 C4 C5 177.47(17) . . . . ? C3 C4 C5 C6 1.7(3) . . . . ? N1 C4 C5 C6 -175.96(16) . . . . ? C3 C4 C5 C7 -176.21(16) . . . . ? N1 C4 C5 C7 6.12(19) . . . . ? C4 C5 C6 C1 -1.3(3) . . . . ? C7 C5 C6 C1 175.98(17) . . . . ? C2 C1 C6 C5 0.2(3) . . . . ? Cl1 C1 C6 C5 -179.04(14) . . . . ? C12 N2 C7 C5 71.7(2) . . . . ? C11 N2 C7 C5 -125.34(16) . . . . ? C12 N2 C7 C8 -52.4(2) . . . . ? C11 N2 C7 C8 110.52(16) . . . . ? C12 N2 C7 C10 -165.99(17) . . . . ? C11 N2 C7 C10 -3.05(12) . . . . ? C6 C5 C7 N2 40.7(3) . . . . ? C4 C5 C7 N2 -141.70(15) . . . . ? C6 C5 C7 C8 169.90(19) . . . . ? C4 C5 C7 C8 -12.52(18) . . . . ? C6 C5 C7 C10 -64.6(3) . . . . ? C4 C5 C7 C10 112.94(16) . . . . ? C4 N1 C8 O1 170.05(18) . . . . ? C9 N1 C8 O1 -3.4(3) . . . . ? C4 N1 C8 C7 -12.0(2) . . . . ? C9 N1 C8 C7 174.57(16) . . . . ? N2 C7 C8 O1 -33.7(3) . . . . ? C5 C7 C8 O1 -167.21(18) . . . . ? C10 C7 C8 O1 63.4(2) . . . . ? N2 C7 C8 N1 148.32(15) . . . . ? C5 C7 C8 N1 14.84(19) . . . . ? C10 C7 C8 N1 -114.53(16) . . . . ? N2 C7 C10 C19 118.33(14) . . . . ? C5 C7 C10 C19 -117.24(16) . . . . ? C8 C7 C10 C19 3.39(19) . . . . ? N2 C7 C10 C11 2.78(11) . . . . ? C5 C7 C10 C11 127.21(15) . . . . ? C8 C7 C10 C11 -112.16(14) . . . . ? N2 C7 C10 C17 -108.09(15) . . . . ? C5 C7 C10 C17 16.3(2) . . . . ? C8 C7 C10 C17 136.97(15) . . . . ? C12 N2 C11 O4 -17.1(3) . . . . ? C7 N2 C11 O4 -178.46(19) . . . . ? C12 N2 C11 C10 164.63(19) . . . . ? C7 N2 C11 C10 3.23(13) . . . . ? C19 C10 C11 O4 63.3(3) . . . . ? C17 C10 C11 O4 -66.5(3) . . . . ? C7 C10 C11 O4 178.9(2) . . . . ? C19 C10 C11 N2 -118.46(15) . . . . ? C17 C10 C11 N2 111.66(15) . . . . ? C7 C10 C11 N2 -2.91(12) . . . . ? C13 O3 C12 O2 5.1(3) . . . . ? C13 O3 C12 N2 -174.01(14) . . . . ? C11 N2 C12 O2 -166.65(18) . . . . ? C7 N2 C12 O2 -10.4(3) . . . . ? C11 N2 C12 O3 12.5(3) . . . . ? C7 N2 C12 O3 168.79(15) . . . . ? C12 O3 C13 C15 -69.4(2) . . . . ? C12 O3 C13 C14 55.4(2) . . . . ? C12 O3 C13 C16 172.28(15) . . . . ? C19 C10 C17 C18 -56.2(2) . . . . ? C11 C10 C17 C18 75.2(2) . . . . ? C7 C10 C17 C18 168.90(15) . . . . ? C11 C10 C19 C24 171.16(15) . . . . ? C17 C10 C19 C24 -59.6(2) . . . . ? C7 C10 C19 C24 75.0(2) . . . . ? C11 C10 C19 C20 -10.1(2) . . . . ? C17 C10 C19 C20 119.11(18) . . . . ? C7 C10 C19 C20 -106.25(18) . . . . ? C24 C19 C20 C21 -0.8(3) . . . . ? C10 C19 C20 C21 -179.55(18) . . . . ? C19 C20 C21 C22 0.1(3) . . . . ? C20 C21 C22 C23 0.6(3) . . . . ? C21 C22 C23 C24 -0.5(3) . . . . ? C20 C19 C24 C23 0.9(3) . . . . ? C10 C19 C24 C23 179.64(17) . . . . ? C22 C23 C24 C19 -0.2(3) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.239 _refine_diff_density_min -0.158 _refine_diff_density_rms 0.042