data_2b _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C26 H18 N2 O' _chemical_formula_weight 374.42 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 P21/a loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x-1/2, -y-1/2, z' _cell_length_a 8.982(6) _cell_length_b 16.187(11) _cell_length_c 12.881(9) _cell_angle_alpha 90.000(4) _cell_angle_beta 92.017(4) _cell_angle_gamma 90.000(4) _cell_volume 1872(2) _cell_formula_units_Z 4 _cell_measurement_temperature 113(2) _cell_measurement_reflns_used 5850 _cell_measurement_theta_min 3.1631 _cell_measurement_theta_max 27.4835 _exptl_crystal_description 'Block' _exptl_crystal_colour 'Colorless' _exptl_crystal_size_max 0.50 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.329 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 784 _exptl_absorpt_coefficient_mu 0.082 _exptl_absorpt_correction_type 'Multi-scan' _exptl_absorpt_correction_T_min 0.9603 _exptl_absorpt_correction_T_max 0.9839 _exptl_absorpt_process_details 'Jacobson, R. (1998). Private communication to the Rigaku Corporation' _exptl_special_details ; ? ; _diffrn_ambient_temperature 113(2) _diffrn_radiation_wavelength 0.71070 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method 'dtprofit.ref' _diffrn_detector_area_resol_mean 14.7059 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 10366 _diffrn_reflns_av_R_equivalents 0.0179 _diffrn_reflns_av_sigmaI/netI 0.0144 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 3.16 _diffrn_reflns_theta_max 24.99 _reflns_number_total 3210 _reflns_number_gt 3030 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.0411P)^2^+0.6345P] 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_number_reflns 3210 _refine_ls_number_parameters 262 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0369 _refine_ls_R_factor_gt 0.0344 _refine_ls_wR_factor_ref 0.0853 _refine_ls_wR_factor_gt 0.0834 _refine_ls_goodness_of_fit_ref 1.065 _refine_ls_restrained_S_all 1.065 _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_symetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.57094(13) -0.00549(7) 0.24173(9) 0.0190(3) Uani 1 1 d . . . C2 C 0.55763(13) -0.06553(7) 0.16158(9) 0.0178(2) Uani 1 1 d . . . C3 C 0.43155(13) -0.06997(7) 0.08767(9) 0.0179(2) Uani 1 1 d . . . N1 N 0.32488(11) -0.01080(6) 0.09239(8) 0.0202(2) Uani 1 1 d . . . C4 C 0.21142(14) -0.01451(8) 0.02372(10) 0.0233(3) Uani 1 1 d . . . H1 H 0.1365 0.0268 0.0271 0.028 Uiso 1 1 calc R . . C5 C 0.19446(14) -0.07507(8) -0.05346(10) 0.0249(3) Uani 1 1 d . . . H2 H 0.1098 -0.0753 -0.0998 0.030 Uiso 1 1 calc R . . C6 C 0.30308(14) -0.13378(8) -0.06018(9) 0.0237(3) Uani 1 1 d . . . H3 H 0.2959 -0.1750 -0.1126 0.028 Uiso 1 1 calc R . . C7 C 0.42588(14) -0.13283(7) 0.01113(9) 0.0207(3) Uani 1 1 d . . . C8 C 0.54496(15) -0.19134(8) 0.00727(10) 0.0258(3) Uani 1 1 d . . . H4 H 0.5397 -0.2348 -0.0423 0.031 Uiso 1 1 calc R . . C9 C 0.66486(14) -0.18562(8) 0.07322(10) 0.0255(3) Uani 1 1 d . . . H5 H 0.7431 -0.2248 0.0683 0.031 Uiso 1 1 calc R . . C10 C 0.67713(13) -0.12189(7) 0.15061(9) 0.0206(3) Uani 1 1 d . . . C11 C 0.80701(14) -0.11418(8) 0.21449(10) 0.0247(3) Uani 1 1 d . . . H6 H 0.8863 -0.1524 0.2071 0.030 Uiso 1 1 calc R . . C12 C 0.82076(14) -0.05236(8) 0.28718(10) 0.0253(3) Uani 1 1 d . . . H7 H 0.9105 -0.0463 0.3277 0.030 Uiso 1 1 calc R . . C13 C 0.70160(13) 0.00152(8) 0.30097(9) 0.0232(3) Uani 1 1 d . . . H8 H 0.7106 0.0438 0.3520 0.028 Uiso 1 1 calc R . . C14 C 0.45118(13) 0.05578(7) 0.26675(9) 0.0200(3) Uani 1 1 d . . . O1 O 0.46789(10) 0.12930(5) 0.25063(7) 0.0282(2) Uani 1 1 d . . . N2 N 0.33036(11) 0.02511(6) 0.31755(7) 0.0184(2) Uani 1 1 d . . . C15 C 0.31852(13) -0.06086(7) 0.34550(9) 0.0181(2) Uani 1 1 d . . . C16 C 0.21092(13) -0.11010(7) 0.29539(9) 0.0204(3) Uani 1 1 d . . . H9 H 0.1483 -0.0876 0.2415 0.024 Uiso 1 1 calc R . . C17 C 0.19560(14) -0.19218(7) 0.32455(10) 0.0246(3) Uani 1 1 d . . . H10 H 0.1224 -0.2259 0.2904 0.029 Uiso 1 1 calc R . . C18 C 0.28683(15) -0.22520(8) 0.40337(11) 0.0279(3) Uani 1 1 d . . . H11 H 0.2757 -0.2813 0.4233 0.033 Uiso 1 1 calc R . . C19 C 0.39411(15) -0.17630(8) 0.45290(10) 0.0278(3) Uani 1 1 d . . . H12 H 0.4568 -0.1989 0.5066 0.033 Uiso 1 1 calc R . . C20 C 0.41013(14) -0.09415(8) 0.42410(9) 0.0234(3) Uani 1 1 d . . . H13 H 0.4837 -0.0607 0.4581 0.028 Uiso 1 1 calc R . . C21 C 0.20218(13) 0.07631(7) 0.33159(9) 0.0182(2) Uani 1 1 d . . . C22 C 0.12845(14) 0.07116(7) 0.42413(9) 0.0205(3) Uani 1 1 d . . . H14 H 0.1643 0.0351 0.4775 0.025 Uiso 1 1 calc R . . C23 C 0.00222(14) 0.11875(7) 0.43879(10) 0.0231(3) Uani 1 1 d . . . H15 H -0.0490 0.1144 0.5019 0.028 Uiso 1 1 calc R . . C24 C -0.04946(14) 0.17253(7) 0.36181(10) 0.0242(3) Uani 1 1 d . . . H16 H -0.1354 0.2053 0.3721 0.029 Uiso 1 1 calc R . . C25 C 0.02519(15) 0.17803(7) 0.26989(10) 0.0253(3) Uani 1 1 d . . . H17 H -0.0095 0.2152 0.2173 0.030 Uiso 1 1 calc R . . C26 C 0.15019(14) 0.12987(7) 0.25369(9) 0.0228(3) Uani 1 1 d . . . H18 H 0.1999 0.1334 0.1900 0.027 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 C1 0.0206(6) 0.0182(6) 0.0185(6) 0.0017(4) 0.0048(5) -0.0031(5) C2 0.0187(6) 0.0169(5) 0.0179(6) 0.0025(4) 0.0040(5) -0.0027(4) C3 0.0189(6) 0.0179(6) 0.0171(6) 0.0023(4) 0.0058(5) -0.0033(5) N1 0.0196(5) 0.0220(5) 0.0193(5) 0.0027(4) 0.0035(4) 0.0000(4) C4 0.0192(6) 0.0280(7) 0.0230(6) 0.0047(5) 0.0038(5) 0.0004(5) C5 0.0207(6) 0.0328(7) 0.0212(6) 0.0040(5) -0.0001(5) -0.0054(5) C6 0.0264(7) 0.0261(6) 0.0187(6) -0.0013(5) 0.0031(5) -0.0073(5) C7 0.0230(6) 0.0206(6) 0.0188(6) 0.0016(5) 0.0043(5) -0.0036(5) C8 0.0324(7) 0.0216(6) 0.0235(6) -0.0057(5) 0.0038(5) 0.0012(5) C9 0.0272(7) 0.0235(6) 0.0262(7) -0.0025(5) 0.0043(5) 0.0065(5) C10 0.0226(6) 0.0197(6) 0.0198(6) 0.0021(5) 0.0043(5) 0.0001(5) C11 0.0207(6) 0.0286(7) 0.0251(6) 0.0034(5) 0.0030(5) 0.0045(5) C12 0.0202(6) 0.0343(7) 0.0214(6) 0.0012(5) -0.0008(5) -0.0014(5) C13 0.0239(6) 0.0262(6) 0.0196(6) -0.0023(5) 0.0028(5) -0.0056(5) C14 0.0224(6) 0.0190(6) 0.0185(6) -0.0028(4) 0.0018(5) -0.0030(5) O1 0.0308(5) 0.0167(4) 0.0378(5) -0.0006(4) 0.0099(4) -0.0040(4) N2 0.0210(5) 0.0150(5) 0.0195(5) 0.0000(4) 0.0048(4) 0.0007(4) C15 0.0203(6) 0.0157(6) 0.0187(6) -0.0007(4) 0.0080(5) 0.0022(4) C16 0.0207(6) 0.0207(6) 0.0200(6) -0.0002(5) 0.0060(5) 0.0016(5) C17 0.0249(7) 0.0192(6) 0.0301(7) -0.0038(5) 0.0087(5) -0.0021(5) C18 0.0322(7) 0.0169(6) 0.0354(7) 0.0044(5) 0.0118(6) 0.0037(5) C19 0.0302(7) 0.0260(7) 0.0274(7) 0.0059(5) 0.0033(5) 0.0081(5) C20 0.0249(6) 0.0236(6) 0.0217(6) -0.0010(5) 0.0016(5) 0.0008(5) C21 0.0205(6) 0.0136(5) 0.0205(6) -0.0034(4) 0.0014(5) -0.0009(4) C22 0.0248(6) 0.0177(6) 0.0190(6) -0.0004(4) 0.0015(5) -0.0001(5) C23 0.0255(7) 0.0213(6) 0.0228(6) -0.0036(5) 0.0065(5) -0.0009(5) C24 0.0232(6) 0.0183(6) 0.0310(7) -0.0061(5) 0.0001(5) 0.0033(5) C25 0.0330(7) 0.0185(6) 0.0241(7) 0.0008(5) -0.0029(5) 0.0038(5) C26 0.0294(7) 0.0199(6) 0.0192(6) -0.0003(5) 0.0028(5) 0.0006(5) _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 C1 C13 1.3819(18) . ? C1 C2 1.4198(18) . ? C1 C14 1.5063(18) . ? C2 C10 1.4196(18) . ? C2 C3 1.4553(18) . ? C3 N1 1.3576(16) . ? C3 C7 1.4165(18) . ? N1 C4 1.3272(17) . ? C4 C5 1.4006(19) . ? C4 H1 0.9500 . ? C5 C6 1.3669(19) . ? C5 H2 0.9500 . ? C6 C7 1.4105(19) . ? C6 H3 0.9500 . ? C7 C8 1.4308(19) . ? C8 C9 1.351(2) . ? C8 H4 0.9500 . ? C9 C10 1.4361(18) . ? C9 H5 0.9500 . ? C10 C11 1.4092(19) . ? C11 C12 1.3730(19) . ? C11 H6 0.9500 . ? C12 C13 1.3968(19) . ? C12 H7 0.9500 . ? C13 H8 0.9500 . ? C14 O1 1.2182(16) . ? C14 N2 1.3792(16) . ? N2 C21 1.4353(16) . ? N2 C15 1.4423(17) . ? C15 C20 1.3906(18) . ? C15 C16 1.3936(18) . ? C16 C17 1.3888(19) . ? C16 H9 0.9500 . ? C17 C18 1.389(2) . ? C17 H10 0.9500 . ? C18 C19 1.385(2) . ? C18 H11 0.9500 . ? C19 C20 1.389(2) . ? C19 H12 0.9500 . ? C20 H13 0.9500 . ? C21 C22 1.3863(18) . ? C21 C26 1.3941(18) . ? C22 C23 1.3892(18) . ? C22 H14 0.9500 . ? C23 C24 1.3871(19) . ? C23 H15 0.9500 . ? C24 C25 1.384(2) . ? C24 H16 0.9500 . ? C25 C26 1.3887(19) . ? C25 H17 0.9500 . ? C26 H18 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 C13 C1 C2 120.39(11) . . ? C13 C1 C14 115.26(11) . . ? C2 C1 C14 124.32(11) . . ? C10 C2 C1 117.89(11) . . ? C10 C2 C3 118.47(11) . . ? C1 C2 C3 123.58(11) . . ? N1 C3 C7 121.99(11) . . ? N1 C3 C2 118.03(11) . . ? C7 C3 C2 119.93(11) . . ? C4 N1 C3 117.70(11) . . ? N1 C4 C5 124.50(12) . . ? N1 C4 H1 117.7 . . ? C5 C4 H1 117.7 . . ? C6 C5 C4 118.14(12) . . ? C6 C5 H2 120.9 . . ? C4 C5 H2 120.9 . . ? C5 C6 C7 119.65(12) . . ? C5 C6 H3 120.2 . . ? C7 C6 H3 120.2 . . ? C6 C7 C3 117.98(11) . . ? C6 C7 C8 122.59(12) . . ? C3 C7 C8 119.41(11) . . ? C9 C8 C7 120.87(12) . . ? C9 C8 H4 119.6 . . ? C7 C8 H4 119.6 . . ? C8 C9 C10 121.71(12) . . ? C8 C9 H5 119.1 . . ? C10 C9 H5 119.1 . . ? C11 C10 C2 119.89(11) . . ? C11 C10 C9 120.70(11) . . ? C2 C10 C9 119.40(11) . . ? C12 C11 C10 121.03(12) . . ? C12 C11 H6 119.5 . . ? C10 C11 H6 119.5 . . ? C11 C12 C13 119.40(12) . . ? C11 C12 H7 120.3 . . ? C13 C12 H7 120.3 . . ? C1 C13 C12 121.21(12) . . ? C1 C13 H8 119.4 . . ? C12 C13 H8 119.4 . . ? O1 C14 N2 122.43(11) . . ? O1 C14 C1 120.90(11) . . ? N2 C14 C1 116.37(11) . . ? C14 N2 C21 119.99(10) . . ? C14 N2 C15 122.14(9) . . ? C21 N2 C15 117.33(9) . . ? C20 C15 C16 119.90(11) . . ? C20 C15 N2 120.57(11) . . ? C16 C15 N2 119.49(11) . . ? C17 C16 C15 119.71(12) . . ? C17 C16 H9 120.1 . . ? C15 C16 H9 120.1 . . ? C16 C17 C18 120.29(12) . . ? C16 C17 H10 119.9 . . ? C18 C17 H10 119.9 . . ? C19 C18 C17 119.97(12) . . ? C19 C18 H11 120.0 . . ? C17 C18 H11 120.0 . . ? C18 C19 C20 120.06(12) . . ? C18 C19 H12 120.0 . . ? C20 C19 H12 120.0 . . ? C19 C20 C15 120.07(12) . . ? C19 C20 H13 120.0 . . ? C15 C20 H13 120.0 . . ? C22 C21 C26 119.89(11) . . ? C22 C21 N2 118.89(10) . . ? C26 C21 N2 121.22(11) . . ? C21 C22 C23 120.02(11) . . ? C21 C22 H14 120.0 . . ? C23 C22 H14 120.0 . . ? C24 C23 C22 120.33(12) . . ? C24 C23 H15 119.8 . . ? C22 C23 H15 119.8 . . ? C25 C24 C23 119.47(12) . . ? C25 C24 H16 120.3 . . ? C23 C24 H16 120.3 . . ? C24 C25 C26 120.73(12) . . ? C24 C25 H17 119.6 . . ? C26 C25 H17 119.6 . . ? C25 C26 C21 119.54(12) . . ? C25 C26 H18 120.2 . . ? C21 C26 H18 120.2 . . ? 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 C13 C1 C2 C10 5.20(16) . . . . ? C14 C1 C2 C10 -176.88(10) . . . . ? C13 C1 C2 C3 -172.02(11) . . . . ? C14 C1 C2 C3 5.91(17) . . . . ? C10 C2 C3 N1 -173.62(10) . . . . ? C1 C2 C3 N1 3.58(16) . . . . ? C10 C2 C3 C7 3.90(15) . . . . ? C1 C2 C3 C7 -178.90(10) . . . . ? C7 C3 N1 C4 1.51(16) . . . . ? C2 C3 N1 C4 178.97(10) . . . . ? C3 N1 C4 C5 -0.23(17) . . . . ? N1 C4 C5 C6 -1.21(18) . . . . ? C4 C5 C6 C7 1.33(17) . . . . ? C5 C6 C7 C3 -0.15(17) . . . . ? C5 C6 C7 C8 -178.70(11) . . . . ? N1 C3 C7 C6 -1.34(16) . . . . ? C2 C3 C7 C6 -178.75(10) . . . . ? N1 C3 C7 C8 177.26(10) . . . . ? C2 C3 C7 C8 -0.15(16) . . . . ? C6 C7 C8 C9 176.20(12) . . . . ? C3 C7 C8 C9 -2.33(18) . . . . ? C7 C8 C9 C10 0.98(19) . . . . ? C1 C2 C10 C11 -3.44(16) . . . . ? C3 C2 C10 C11 173.92(10) . . . . ? C1 C2 C10 C9 177.41(10) . . . . ? C3 C2 C10 C9 -5.23(16) . . . . ? C8 C9 C10 C11 -176.24(12) . . . . ? C8 C9 C10 C2 2.90(18) . . . . ? C2 C10 C11 C12 -0.49(18) . . . . ? C9 C10 C11 C12 178.65(12) . . . . ? C10 C11 C12 C13 2.74(19) . . . . ? C2 C1 C13 C12 -3.08(18) . . . . ? C14 C1 C13 C12 178.81(11) . . . . ? C11 C12 C13 C1 -0.96(18) . . . . ? C13 C1 C14 O1 66.24(16) . . . . ? C2 C1 C14 O1 -111.78(14) . . . . ? C13 C1 C14 N2 -107.61(13) . . . . ? C2 C1 C14 N2 74.37(15) . . . . ? O1 C14 N2 C21 14.86(17) . . . . ? C1 C14 N2 C21 -171.39(10) . . . . ? O1 C14 N2 C15 -173.73(11) . . . . ? C1 C14 N2 C15 0.02(16) . . . . ? C14 N2 C15 C20 70.70(15) . . . . ? C21 N2 C15 C20 -117.67(13) . . . . ? C14 N2 C15 C16 -111.38(13) . . . . ? C21 N2 C15 C16 60.25(15) . . . . ? C20 C15 C16 C17 0.18(17) . . . . ? N2 C15 C16 C17 -177.75(10) . . . . ? C15 C16 C17 C18 0.08(18) . . . . ? C16 C17 C18 C19 -0.30(18) . . . . ? C17 C18 C19 C20 0.26(19) . . . . ? C18 C19 C20 C15 0.00(19) . . . . ? C16 C15 C20 C19 -0.22(17) . . . . ? N2 C15 C20 C19 177.69(11) . . . . ? C14 N2 C21 C22 -141.77(11) . . . . ? C15 N2 C21 C22 46.41(14) . . . . ? C14 N2 C21 C26 39.04(16) . . . . ? C15 N2 C21 C26 -132.77(12) . . . . ? C26 C21 C22 C23 0.58(17) . . . . ? N2 C21 C22 C23 -178.62(10) . . . . ? C21 C22 C23 C24 -0.99(18) . . . . ? C22 C23 C24 C25 0.42(18) . . . . ? C23 C24 C25 C26 0.55(18) . . . . ? C24 C25 C26 C21 -0.96(18) . . . . ? C22 C21 C26 C25 0.38(17) . . . . ? N2 C21 C26 C25 179.56(11) . . . . ? _diffrn_measured_fraction_theta_max 0.975 _diffrn_reflns_theta_full 24.99 _diffrn_measured_fraction_theta_full 0.975 _refine_diff_density_max 0.192 _refine_diff_density_min -0.174 _refine_diff_density_rms 0.034