data_leo212 _audit_creation_method SHELXTL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C25 H22 N2 O4' _chemical_formula_weight 414.45 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 Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.1562(12) _cell_length_b 10.6764(14) _cell_length_c 12.1295(16) _cell_angle_alpha 111.929(2) _cell_angle_beta 108.080(2) _cell_angle_gamma 93.745(2) _cell_volume 1023.3(2) _cell_formula_units_Z 2 _cell_measurement_temperature 155(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description cube _exptl_crystal_colour colorless _exptl_crystal_size_max 0.33 _exptl_crystal_size_mid 0.31 _exptl_crystal_size_min 0.22 _exptl_crystal_density_meas n/a _exptl_crystal_density_diffrn 1.345 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 436 _exptl_absorpt_coefficient_mu 0.092 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.9703 _exptl_absorpt_correction_T_max 0.9801 _exptl_absorpt_process_details 'Bruker SADABS' _exptl_special_details ; ? ; _diffrn_ambient_temperature 155(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'normal-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number '50 frames' _diffrn_standards_interval_count 'initial 50 frames recollected' _diffrn_standards_interval_time ? _diffrn_standards_decay_% '< 1.0' _diffrn_reflns_number 10666 _diffrn_reflns_av_R_equivalents 0.0207 _diffrn_reflns_av_sigmaI/netI 0.0236 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.94 _diffrn_reflns_theta_max 27.10 _reflns_number_total 4498 _reflns_number_gt 3903 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART/SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'Bruker SHELXTL' _computing_structure_refinement 'Bruker SHELXTL' _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^)+(0.0479P)^2^+0.3914P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens difmap _refine_ls_hydrogen_treatment refall _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4498 _refine_ls_number_parameters 368 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0434 _refine_ls_R_factor_gt 0.0369 _refine_ls_wR_factor_ref 0.0995 _refine_ls_wR_factor_gt 0.0940 _refine_ls_goodness_of_fit_ref 1.033 _refine_ls_restrained_S_all 1.033 _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 O1 O 0.23848(11) 0.54735(9) 0.05841(8) 0.0283(2) Uani 1 1 d . . . O2 O -0.01291(11) 0.59347(9) 0.17300(9) 0.0257(2) Uani 1 1 d . . . O3 O 0.31564(10) 0.88355(9) 0.13911(8) 0.0232(2) Uani 1 1 d . . . O4 O -0.08546(10) 1.20442(9) 0.16629(9) 0.0254(2) Uani 1 1 d . . . N1 N 0.37792(12) 0.69212(10) 0.26781(10) 0.0209(2) Uani 1 1 d . . . N2 N 0.12294(11) 1.00965(10) 0.15468(9) 0.0194(2) Uani 1 1 d . . . C1 C 0.24671(14) 0.63466(12) 0.16156(12) 0.0221(3) Uani 1 1 d . . . C2 C 0.10758(13) 0.69669(12) 0.19175(11) 0.0198(2) Uani 1 1 d . . . C3 C 0.18464(14) 0.78854(12) 0.33213(11) 0.0195(2) Uani 1 1 d . . . C4 C 0.12112(15) 0.86327(13) 0.41904(12) 0.0232(3) Uani 1 1 d . . . C5 C 0.21907(16) 0.93314(13) 0.54704(12) 0.0250(3) Uani 1 1 d . . . C6 C 0.37767(15) 0.92915(13) 0.58493(12) 0.0235(3) Uani 1 1 d . . . C7 C 0.44298(14) 0.85406(12) 0.49741(12) 0.0215(2) Uani 1 1 d . . . C8 C 0.34372(14) 0.78307(12) 0.37195(11) 0.0192(2) Uani 1 1 d . . . C9 C 0.18119(13) 0.89186(12) 0.13386(11) 0.0190(2) Uani 1 1 d . . . C10 C 0.05096(13) 0.77414(12) 0.10563(11) 0.0186(2) Uani 1 1 d . . . C11 C -0.08354(13) 0.84557(12) 0.11778(11) 0.0185(2) Uani 1 1 d . . . C12 C -0.23750(14) 0.79318(13) 0.09684(11) 0.0214(2) Uani 1 1 d . . . C13 C -0.34191(14) 0.88251(14) 0.10215(12) 0.0233(3) Uani 1 1 d . . . C14 C -0.29524(14) 1.01934(13) 0.12571(11) 0.0227(3) Uani 1 1 d . . . C15 C -0.14116(14) 1.07271(12) 0.14622(11) 0.0201(2) Uani 1 1 d . . . C16 C -0.03596(13) 0.98329(12) 0.14307(10) 0.0184(2) Uani 1 1 d . . . C17 C 0.22211(15) 1.14216(13) 0.19221(13) 0.0238(3) Uani 1 1 d . . . C18 C -0.19027(17) 1.29911(14) 0.17802(14) 0.0288(3) Uani 1 1 d . . . C19 C 0.53487(14) 0.67489(13) 0.26835(12) 0.0226(3) Uani 1 1 d . . . C20 C 0.61220(14) 0.60235(12) 0.34956(11) 0.0211(2) Uani 1 1 d . . . C21 C 0.53321(18) 0.47849(15) 0.33457(16) 0.0357(3) Uani 1 1 d . . . C22 C 0.6039(2) 0.4111(2) 0.4081(2) 0.0498(4) Uani 1 1 d . . . C23 C 0.7534(2) 0.46562(19) 0.49631(16) 0.0440(4) Uani 1 1 d . . . C24 C 0.8335(2) 0.58773(19) 0.51210(15) 0.0426(4) Uani 1 1 d . . . C25 C 0.76296(17) 0.65736(16) 0.43877(14) 0.0335(3) Uani 1 1 d . . . H2 H -0.071(2) 0.5481(18) 0.0900(19) 0.040(5) Uiso 1 1 d . . . H4A H 0.0087(19) 0.8627(15) 0.3901(14) 0.027(4) Uiso 1 1 d . . . H5A H 0.1757(18) 0.9843(16) 0.6093(15) 0.029(4) Uiso 1 1 d . . . H6A H 0.4452(18) 0.9815(16) 0.6729(15) 0.028(4) Uiso 1 1 d . . . H7A H 0.5524(19) 0.8501(15) 0.5240(14) 0.025(4) Uiso 1 1 d . . . H10A H 0.0244(17) 0.7072(15) 0.0167(14) 0.023(4) Uiso 1 1 d . . . H12A H -0.2701(17) 0.6968(15) 0.0773(13) 0.021(3) Uiso 1 1 d . . . H13A H -0.448(2) 0.8490(16) 0.0887(15) 0.031(4) Uiso 1 1 d . . . H14A H -0.3696(18) 1.0790(15) 0.1259(14) 0.027(4) Uiso 1 1 d . . . H17A H 0.322(2) 1.1250(18) 0.1930(17) 0.043(5) Uiso 1 1 d . . . H17B H 0.233(2) 1.2058(18) 0.2762(18) 0.041(5) Uiso 1 1 d . . . H17C H 0.178(2) 1.1819(17) 0.1327(17) 0.036(4) Uiso 1 1 d . . . H18A H -0.2796(19) 1.2691(16) 0.0974(16) 0.031(4) Uiso 1 1 d . . . H18B H -0.1261(19) 1.3887(17) 0.1996(15) 0.031(4) Uiso 1 1 d . . . H18C H -0.2304(19) 1.3028(17) 0.2465(16) 0.035(4) Uiso 1 1 d . . . H19A H 0.6023(18) 0.7678(16) 0.3001(14) 0.026(4) Uiso 1 1 d . . . H19B H 0.5191(17) 0.6197(15) 0.1768(15) 0.025(4) Uiso 1 1 d . . . H21A H 0.423(2) 0.440(2) 0.2692(19) 0.051(5) Uiso 1 1 d . . . H22A H 0.544(3) 0.323(2) 0.402(2) 0.071(7) Uiso 1 1 d . . . H23A H 0.799(2) 0.415(2) 0.544(2) 0.061(6) Uiso 1 1 d . . . H24A H 0.933(3) 0.629(2) 0.569(2) 0.055(6) Uiso 1 1 d . . . H25A H 0.816(2) 0.7427(19) 0.4506(18) 0.043(5) Uiso 1 1 d . . . 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 O1 0.0264(5) 0.0277(5) 0.0224(5) 0.0040(4) 0.0051(4) 0.0096(4) O2 0.0235(5) 0.0249(5) 0.0244(5) 0.0117(4) 0.0027(4) -0.0012(4) O3 0.0154(4) 0.0321(5) 0.0241(4) 0.0131(4) 0.0077(3) 0.0071(3) O4 0.0249(5) 0.0227(4) 0.0291(5) 0.0118(4) 0.0084(4) 0.0077(4) N1 0.0186(5) 0.0233(5) 0.0201(5) 0.0098(4) 0.0047(4) 0.0070(4) N2 0.0151(5) 0.0235(5) 0.0195(5) 0.0096(4) 0.0054(4) 0.0033(4) C1 0.0215(6) 0.0209(6) 0.0230(6) 0.0104(5) 0.0050(5) 0.0061(5) C2 0.0172(6) 0.0204(5) 0.0202(6) 0.0090(5) 0.0042(5) 0.0039(4) C3 0.0202(6) 0.0204(5) 0.0196(6) 0.0117(5) 0.0050(5) 0.0042(4) C4 0.0214(6) 0.0267(6) 0.0244(6) 0.0137(5) 0.0076(5) 0.0074(5) C5 0.0294(7) 0.0264(6) 0.0220(6) 0.0112(5) 0.0109(5) 0.0090(5) C6 0.0262(6) 0.0232(6) 0.0190(6) 0.0099(5) 0.0046(5) 0.0026(5) C7 0.0193(6) 0.0228(6) 0.0227(6) 0.0127(5) 0.0042(5) 0.0030(5) C8 0.0204(6) 0.0193(5) 0.0206(6) 0.0113(5) 0.0070(5) 0.0049(4) C9 0.0169(5) 0.0256(6) 0.0147(5) 0.0096(4) 0.0043(4) 0.0044(4) C10 0.0151(5) 0.0228(6) 0.0171(6) 0.0086(5) 0.0044(4) 0.0049(4) C11 0.0172(5) 0.0248(6) 0.0147(5) 0.0098(4) 0.0049(4) 0.0064(4) C12 0.0183(6) 0.0265(6) 0.0207(6) 0.0117(5) 0.0064(5) 0.0043(5) C13 0.0154(6) 0.0341(7) 0.0220(6) 0.0132(5) 0.0068(5) 0.0060(5) C14 0.0201(6) 0.0316(6) 0.0190(6) 0.0118(5) 0.0076(5) 0.0115(5) C15 0.0211(6) 0.0243(6) 0.0151(5) 0.0088(5) 0.0057(4) 0.0071(5) C16 0.0151(5) 0.0259(6) 0.0141(5) 0.0090(4) 0.0044(4) 0.0043(4) C17 0.0197(6) 0.0252(6) 0.0241(6) 0.0102(5) 0.0055(5) 0.0014(5) C18 0.0328(7) 0.0261(7) 0.0272(7) 0.0107(5) 0.0094(6) 0.0132(6) C19 0.0192(6) 0.0276(6) 0.0243(6) 0.0137(5) 0.0079(5) 0.0069(5) C20 0.0199(6) 0.0253(6) 0.0215(6) 0.0107(5) 0.0096(5) 0.0100(5) C21 0.0289(7) 0.0332(7) 0.0514(9) 0.0257(7) 0.0122(7) 0.0098(6) C22 0.0482(10) 0.0513(10) 0.0776(13) 0.0487(10) 0.0289(9) 0.0239(8) C23 0.0555(10) 0.0610(11) 0.0452(9) 0.0396(9) 0.0294(8) 0.0397(9) C24 0.0320(8) 0.0608(11) 0.0258(7) 0.0127(7) 0.0021(6) 0.0233(8) C25 0.0254(7) 0.0354(8) 0.0328(7) 0.0123(6) 0.0037(6) 0.0069(6) _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 C1 1.2252(15) . ? O2 C2 1.4077(14) . ? O3 C9 1.2236(14) . ? O4 C15 1.3676(15) . ? O4 C18 1.4378(15) . ? N1 C1 1.3538(16) . ? N1 C8 1.4162(15) . ? N1 C19 1.4590(16) . ? N2 C9 1.3652(15) . ? N2 C16 1.4161(15) . ? N2 C17 1.4588(15) . ? C1 C2 1.5537(17) . ? C2 C3 1.5085(16) . ? C2 C10 1.5520(16) . ? C3 C4 1.3781(18) . ? C3 C8 1.3978(16) . ? C4 C5 1.3980(18) . ? C5 C6 1.3894(19) . ? C6 C7 1.3957(18) . ? C7 C8 1.3807(17) . ? C9 C10 1.5323(16) . ? C10 C11 1.5071(16) . ? C11 C12 1.3904(16) . ? C11 C16 1.3937(17) . ? C12 C13 1.3925(17) . ? C13 C14 1.3890(19) . ? C14 C15 1.3958(17) . ? C15 C16 1.3988(16) . ? C19 C20 1.5100(16) . ? C20 C25 1.3833(19) . ? C20 C21 1.3851(19) . ? C21 C22 1.383(2) . ? C22 C23 1.371(3) . ? C23 C24 1.370(3) . ? C24 C25 1.400(2) . ? 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 C15 O4 C18 117.39(10) . . ? C1 N1 C8 110.81(10) . . ? C1 N1 C19 123.45(10) . . ? C8 N1 C19 125.28(10) . . ? C9 N2 C16 110.58(10) . . ? C9 N2 C17 121.53(10) . . ? C16 N2 C17 127.75(10) . . ? O1 C1 N1 125.65(11) . . ? O1 C1 C2 125.41(11) . . ? N1 C1 C2 108.94(10) . . ? O2 C2 C3 109.47(10) . . ? O2 C2 C10 112.42(9) . . ? C3 C2 C10 114.72(10) . . ? O2 C2 C1 111.19(10) . . ? C3 C2 C1 101.39(9) . . ? C10 C2 C1 107.07(9) . . ? C4 C3 C8 120.34(11) . . ? C4 C3 C2 130.52(11) . . ? C8 C3 C2 109.01(10) . . ? C3 C4 C5 118.60(12) . . ? C6 C5 C4 120.47(12) . . ? C5 C6 C7 121.26(12) . . ? C8 C7 C6 117.45(11) . . ? C7 C8 C3 121.84(11) . . ? C7 C8 N1 128.37(11) . . ? C3 C8 N1 109.72(10) . . ? O3 C9 N2 125.23(11) . . ? O3 C9 C10 126.35(11) . . ? N2 C9 C10 108.41(10) . . ? C11 C10 C9 102.71(9) . . ? C11 C10 C2 117.61(10) . . ? C9 C10 C2 111.40(9) . . ? C12 C11 C16 120.76(11) . . ? C12 C11 C10 130.75(11) . . ? C16 C11 C10 108.18(10) . . ? C11 C12 C13 117.95(11) . . ? C14 C13 C12 121.38(11) . . ? C13 C14 C15 121.09(11) . . ? O4 C15 C14 125.35(11) . . ? O4 C15 C16 117.29(11) . . ? C14 C15 C16 117.35(11) . . ? C11 C16 C15 121.46(11) . . ? C11 C16 N2 110.03(10) . . ? C15 C16 N2 128.38(11) . . ? N1 C19 C20 113.44(10) . . ? C25 C20 C21 119.03(12) . . ? C25 C20 C19 120.76(12) . . ? C21 C20 C19 120.21(12) . . ? C22 C21 C20 120.44(15) . . ? C23 C22 C21 120.48(16) . . ? C24 C23 C22 119.88(14) . . ? C23 C24 C25 120.20(15) . . ? C20 C25 C24 119.96(15) . . ? 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 C8 N1 C1 O1 -176.48(12) . . . . ? C19 N1 C1 O1 10.85(19) . . . . ? C8 N1 C1 C2 3.15(13) . . . . ? C19 N1 C1 C2 -169.52(10) . . . . ? O1 C1 C2 O2 59.97(16) . . . . ? N1 C1 C2 O2 -119.66(11) . . . . ? O1 C1 C2 C3 176.26(12) . . . . ? N1 C1 C2 C3 -3.37(12) . . . . ? O1 C1 C2 C10 -63.19(15) . . . . ? N1 C1 C2 C10 117.17(10) . . . . ? O2 C2 C3 C4 -55.88(16) . . . . ? C10 C2 C3 C4 71.58(16) . . . . ? C1 C2 C3 C4 -173.42(12) . . . . ? O2 C2 C3 C8 119.97(10) . . . . ? C10 C2 C3 C8 -112.57(11) . . . . ? C1 C2 C3 C8 2.43(12) . . . . ? C8 C3 C4 C5 0.09(18) . . . . ? C2 C3 C4 C5 175.55(11) . . . . ? C3 C4 C5 C6 1.23(18) . . . . ? C4 C5 C6 C7 -1.05(19) . . . . ? C5 C6 C7 C8 -0.47(18) . . . . ? C6 C7 C8 C3 1.82(17) . . . . ? C6 C7 C8 N1 -174.85(11) . . . . ? C4 C3 C8 C7 -1.66(18) . . . . ? C2 C3 C8 C7 -178.01(10) . . . . ? C4 C3 C8 N1 175.57(10) . . . . ? C2 C3 C8 N1 -0.78(13) . . . . ? C1 N1 C8 C7 175.44(11) . . . . ? C19 N1 C8 C7 -12.05(19) . . . . ? C1 N1 C8 C3 -1.56(13) . . . . ? C19 N1 C8 C3 170.95(10) . . . . ? C16 N2 C9 O3 -179.06(11) . . . . ? C17 N2 C9 O3 -2.98(18) . . . . ? C16 N2 C9 C10 -0.09(12) . . . . ? C17 N2 C9 C10 175.98(10) . . . . ? O3 C9 C10 C11 177.42(11) . . . . ? N2 C9 C10 C11 -1.53(12) . . . . ? O3 C9 C10 C2 50.64(15) . . . . ? N2 C9 C10 C2 -128.30(10) . . . . ? O2 C2 C10 C11 58.23(14) . . . . ? C3 C2 C10 C11 -67.72(13) . . . . ? C1 C2 C10 C11 -179.37(10) . . . . ? O2 C2 C10 C9 176.37(9) . . . . ? C3 C2 C10 C9 50.43(13) . . . . ? C1 C2 C10 C9 -61.23(12) . . . . ? C9 C10 C11 C12 176.18(12) . . . . ? C2 C10 C11 C12 -61.13(16) . . . . ? C9 C10 C11 C16 2.62(12) . . . . ? C2 C10 C11 C16 125.31(11) . . . . ? C16 C11 C12 C13 -0.10(17) . . . . ? C10 C11 C12 C13 -172.98(11) . . . . ? C11 C12 C13 C14 0.93(18) . . . . ? C12 C13 C14 C15 -0.64(19) . . . . ? C18 O4 C15 C14 5.60(17) . . . . ? C18 O4 C15 C16 -175.97(10) . . . . ? C13 C14 C15 O4 177.93(11) . . . . ? C13 C14 C15 C16 -0.50(17) . . . . ? C12 C11 C16 C15 -1.06(17) . . . . ? C10 C11 C16 C15 173.27(10) . . . . ? C12 C11 C16 N2 -177.17(10) . . . . ? C10 C11 C16 N2 -2.84(12) . . . . ? O4 C15 C16 C11 -177.22(10) . . . . ? C14 C15 C16 C11 1.34(17) . . . . ? O4 C15 C16 N2 -1.88(17) . . . . ? C14 C15 C16 N2 176.68(11) . . . . ? C9 N2 C16 C11 1.88(13) . . . . ? C17 N2 C16 C11 -173.89(11) . . . . ? C9 N2 C16 C15 -173.89(11) . . . . ? C17 N2 C16 C15 10.34(19) . . . . ? C1 N1 C19 C20 -117.63(13) . . . . ? C8 N1 C19 C20 70.77(15) . . . . ? N1 C19 C20 C25 -129.92(13) . . . . ? N1 C19 C20 C21 50.78(16) . . . . ? C25 C20 C21 C22 0.2(2) . . . . ? C19 C20 C21 C22 179.53(15) . . . . ? C20 C21 C22 C23 -0.3(3) . . . . ? C21 C22 C23 C24 0.1(3) . . . . ? C22 C23 C24 C25 0.3(2) . . . . ? C21 C20 C25 C24 0.1(2) . . . . ? C19 C20 C25 C24 -179.18(13) . . . . ? C23 C24 C25 C20 -0.4(2) . . . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 27.10 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 0.308 _refine_diff_density_min -0.269 _refine_diff_density_rms 0.040