data_shelxl loop_ _journal_name_full 'European Journal of Chemistry' _journal_coden_ASTM EJCUA9 _journal_volume 8 _journal_issue 1 _journal_year 2017 _journal_page_first 20 _journal_page_last 24 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C26 H23 N O2' _chemical_formula_sum 'C26 H23 N O2' _chemical_formula_weight 381.45 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' 'O' 'O' 0.0106 0.0060 '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' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '+X,+Y,+Z' 2 '1/2-X,1/2+Y,1/2-Z' 3 '-X,-Y,-Z' 4 '1/2+X,1/2-Y,1/2+Z' _cell_length_a 8.8607(7) _cell_length_b 11.6508(10) _cell_length_c 19.5234(15) _cell_angle_alpha 90.00 _cell_angle_beta 92.748(3) _cell_angle_gamma 90.00 _cell_volume 2013.2(3) _cell_formula_units_Z 4 _cell_measurement_temperature 193(2) _cell_measurement_reflns_used 23776 _cell_measurement_theta_min 3.0 _cell_measurement_theta_max 27.5 _exptl_crystal_description 'platelet' _exptl_crystal_colour 'yellow' _exptl_crystal_size_max 0.60 _exptl_crystal_size_mid 0.40 _exptl_crystal_size_min 0.20 _exptl_crystal_density_diffrn 1.259 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 808 _exptl_absorpt_coefficient_mu 0.079 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.9541 _exptl_absorpt_correction_T_max 0.9844 _exptl_absorpt_process_details ; Higashi, T. (1999). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan. ; _diffrn_ambient_temperature 193(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku RAXIS-RAPID' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.00 _diffrn_reflns_number 31977 _diffrn_reflns_av_R_equivalents 0.0185 _diffrn_reflns_av_sigmaI/netI 0.0111 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 3.04 _diffrn_reflns_theta_max 27.47 _reflns_number_total 4610 _reflns_number_gt 4126 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'PROCESS-AUTO' _computing_cell_refinement 'PROCESS-AUTO' _computing_data_reduction 'CrystalStructure' _computing_structure_solution 'SIR2004' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0636P)^2^+0.3356P] 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 mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0117(16) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 4610 _refine_ls_number_parameters 292 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0424 _refine_ls_R_factor_gt 0.0389 _refine_ls_wR_factor_ref 0.1137 _refine_ls_wR_factor_gt 0.1106 _refine_ls_goodness_of_fit_ref 1.064 _refine_ls_restrained_S_all 1.064 _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 O1 O 0.59455(8) 0.30628(7) 0.79357(4) 0.0413(2) Uani 1 1 d . . . O2 O 1.08066(10) 0.76667(8) 0.93549(4) 0.0479(2) Uani 1 1 d . . . N1 N 0.74640(9) 0.42730(7) 0.71190(4) 0.03056(19) Uani 1 1 d . . . C1 C 0.77336(10) 0.45129(8) 0.83254(5) 0.0280(2) Uani 1 1 d . . . C2 C 0.65899(11) 0.37175(9) 0.84410(5) 0.0332(2) Uani 1 1 d . . . C3 C 0.60596(12) 0.35349(11) 0.91025(6) 0.0416(3) Uani 1 1 d . . . H3 H 0.5321 0.2961 0.9173 0.050 Uiso 1 1 calc R . . C4 C 0.66058(12) 0.41792(11) 0.96370(6) 0.0421(3) Uani 1 1 d . . . H4 H 0.6255 0.4041 1.0082 0.051 Uiso 1 1 calc R . . C5 C 0.76837(12) 0.50501(10) 0.95458(5) 0.0358(2) Uani 1 1 d . . . C6 C 0.81992(14) 0.57404(11) 1.01056(6) 0.0457(3) Uani 1 1 d . . . H6 H 0.7816 0.5608 1.0545 0.055 Uiso 1 1 calc R . . C7 C 0.92277(15) 0.65865(11) 1.00293(6) 0.0476(3) Uani 1 1 d . . . H7 H 0.9577 0.7031 1.0413 0.057 Uiso 1 1 calc R . . C8 C 0.97748(12) 0.67994(9) 0.93722(5) 0.0379(2) Uani 1 1 d . . . C9 C 0.92916(11) 0.61587(9) 0.88140(5) 0.0317(2) Uani 1 1 d . . . H9 H 0.9650 0.6333 0.8375 0.038 Uiso 1 1 calc R . . C10 C 0.82591(10) 0.52368(8) 0.88867(5) 0.0293(2) Uani 1 1 d . . . C11 C 0.83624(10) 0.45456(8) 0.76345(5) 0.02661(19) Uani 1 1 d . . . C12 C 1.00138(10) 0.47719(8) 0.75719(5) 0.0280(2) Uani 1 1 d . . . C13 C 1.10351(11) 0.41682(9) 0.79991(5) 0.0349(2) Uani 1 1 d . . . H13 H 1.0674 0.3641 0.8325 0.042 Uiso 1 1 calc R . . C14 C 1.25785(12) 0.43314(11) 0.79524(6) 0.0431(3) Uani 1 1 d . . . H14 H 1.3272 0.3901 0.8236 0.052 Uiso 1 1 calc R . . C15 C 1.31033(12) 0.51209(12) 0.74924(6) 0.0464(3) Uani 1 1 d . . . H15 H 1.4159 0.5245 0.7467 0.056 Uiso 1 1 calc R . . C16 C 1.20975(13) 0.57295(11) 0.70702(6) 0.0451(3) Uani 1 1 d . . . H16 H 1.2465 0.6275 0.6757 0.054 Uiso 1 1 calc R . . C17 C 1.05469(12) 0.55494(9) 0.71006(5) 0.0349(2) Uani 1 1 d . . . H17 H 0.9859 0.5955 0.6801 0.042 Uiso 1 1 calc R . . C18 C 0.79236(11) 0.41739(9) 0.64315(5) 0.0316(2) Uani 1 1 d . . . C19 C 0.88031(12) 0.32508(9) 0.62269(5) 0.0379(2) Uani 1 1 d . . . C20 C 0.91221(17) 0.31801(13) 0.55376(6) 0.0564(3) Uani 1 1 d . . . H20 H 0.9728 0.2565 0.5387 0.068 Uiso 1 1 calc R . . C21 C 0.8581(2) 0.39792(15) 0.50678(6) 0.0670(4) Uani 1 1 d . . . H21 H 0.8834 0.3923 0.4602 0.080 Uiso 1 1 calc R . . C22 C 0.76729(17) 0.48615(13) 0.52749(6) 0.0565(3) Uani 1 1 d . . . H22 H 0.7285 0.5401 0.4947 0.068 Uiso 1 1 calc R . . C23 C 0.73174(13) 0.49728(10) 0.59565(5) 0.0401(2) Uani 1 1 d . . . C24 C 1.14429(17) 0.79048(13) 0.87195(6) 0.0557(3) Uani 1 1 d . . . H24A H 1.2214 0.8503 0.8783 0.067 Uiso 1 1 calc R . . H24B H 1.0649 0.8170 0.8390 0.067 Uiso 1 1 calc R . . H24C H 1.1907 0.7206 0.8545 0.067 Uiso 1 1 calc R . . C25 C 0.93636(15) 0.23360(10) 0.67183(7) 0.0450(3) Uani 1 1 d . . . C26 C 0.63181(18) 0.59298(13) 0.61782(8) 0.0557(3) Uani 1 1 d . . . H1 H 0.6280(19) 0.3402(15) 0.7526(9) 0.070(5) Uiso 1 1 d . . . H2 H 0.9642(17) 0.1641(15) 0.6461(8) 0.063(4) Uiso 1 1 d . . . H5 H 0.8567(19) 0.2138(15) 0.7070(8) 0.066(4) Uiso 1 1 d . . . H8 H 1.0259(18) 0.2584(14) 0.6996(8) 0.063(4) Uiso 1 1 d . . . H10 H 0.532(3) 0.563(2) 0.6301(11) 0.115(8) Uiso 1 1 d . . . H11 H 0.676(3) 0.635(2) 0.6585(12) 0.107(7) Uiso 1 1 d . . . H12 H 0.608(3) 0.647(2) 0.5832(12) 0.114(8) 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 0.0369(4) 0.0462(4) 0.0408(4) -0.0004(3) 0.0027(3) -0.0136(3) O2 0.0584(5) 0.0468(5) 0.0382(4) -0.0092(3) 0.0002(4) -0.0152(4) N1 0.0287(4) 0.0350(4) 0.0278(4) 0.0028(3) -0.0006(3) -0.0005(3) C1 0.0246(4) 0.0311(5) 0.0283(4) 0.0031(3) 0.0021(3) 0.0030(3) C2 0.0279(4) 0.0359(5) 0.0357(5) 0.0037(4) 0.0022(4) -0.0004(4) C3 0.0356(5) 0.0487(6) 0.0410(6) 0.0083(5) 0.0081(4) -0.0075(4) C4 0.0395(5) 0.0552(7) 0.0325(5) 0.0076(5) 0.0108(4) -0.0006(5) C5 0.0341(5) 0.0436(6) 0.0301(5) 0.0020(4) 0.0049(4) 0.0035(4) C6 0.0510(6) 0.0589(7) 0.0281(5) -0.0033(5) 0.0093(4) 0.0001(5) C7 0.0569(7) 0.0546(7) 0.0314(5) -0.0113(5) 0.0026(5) -0.0049(6) C8 0.0406(5) 0.0388(5) 0.0342(5) -0.0045(4) 0.0009(4) -0.0006(4) C9 0.0329(5) 0.0341(5) 0.0281(4) -0.0008(4) 0.0019(4) 0.0018(4) C10 0.0270(4) 0.0335(5) 0.0277(4) 0.0017(3) 0.0018(3) 0.0051(3) C11 0.0259(4) 0.0256(4) 0.0283(4) 0.0020(3) 0.0009(3) 0.0014(3) C12 0.0265(4) 0.0309(5) 0.0267(4) -0.0049(3) 0.0030(3) -0.0013(3) C13 0.0288(5) 0.0454(6) 0.0304(5) -0.0009(4) 0.0018(4) 0.0024(4) C14 0.0278(5) 0.0632(7) 0.0382(5) -0.0098(5) -0.0006(4) 0.0057(5) C15 0.0283(5) 0.0630(8) 0.0484(6) -0.0182(5) 0.0088(4) -0.0087(5) C16 0.0429(6) 0.0458(6) 0.0479(6) -0.0055(5) 0.0151(5) -0.0134(5) C17 0.0367(5) 0.0331(5) 0.0353(5) -0.0011(4) 0.0060(4) -0.0038(4) C18 0.0310(5) 0.0363(5) 0.0272(4) 0.0004(4) -0.0017(3) -0.0055(4) C19 0.0403(5) 0.0382(5) 0.0350(5) -0.0060(4) -0.0019(4) -0.0029(4) C20 0.0707(9) 0.0594(8) 0.0396(6) -0.0137(5) 0.0064(6) 0.0073(6) C21 0.0917(11) 0.0804(10) 0.0295(6) -0.0041(6) 0.0098(6) 0.0037(8) C22 0.0722(9) 0.0648(8) 0.0322(6) 0.0126(5) -0.0006(5) 0.0002(7) C23 0.0418(6) 0.0440(6) 0.0340(5) 0.0076(4) -0.0021(4) -0.0025(4) C24 0.0661(8) 0.0585(8) 0.0422(6) -0.0014(6) -0.0008(6) -0.0285(7) C25 0.0494(6) 0.0356(6) 0.0491(6) -0.0056(5) -0.0065(5) 0.0046(5) C26 0.0591(8) 0.0563(8) 0.0518(7) 0.0165(6) 0.0026(6) 0.0169(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 C2 1.3518(13) . ? O1 H1 0.952(18) . ? O2 C8 1.3642(14) . ? O2 C24 1.4145(15) . ? N1 C11 1.2926(12) . ? N1 C18 1.4258(12) . ? C1 C2 1.3995(13) . ? C1 C10 1.4422(13) . ? C1 C11 1.4843(12) . ? C2 C3 1.4115(14) . ? C3 C4 1.3558(17) . ? C3 H3 0.9500 . ? C4 C5 1.4107(16) . ? C4 H4 0.9500 . ? C5 C6 1.4149(16) . ? C5 C10 1.4233(13) . ? C6 C7 1.3555(18) . ? C6 H6 0.9500 . ? C7 C8 1.4149(16) . ? C7 H7 0.9500 . ? C8 C9 1.3723(14) . ? C9 C10 1.4224(14) . ? C9 H9 0.9500 . ? C11 C12 1.4976(12) . ? C12 C17 1.3901(13) . ? C12 C13 1.3917(14) . ? C13 C14 1.3880(14) . ? C13 H13 0.9500 . ? C14 C15 1.3816(18) . ? C14 H14 0.9500 . ? C15 C16 1.3806(19) . ? C15 H15 0.9500 . ? C16 C17 1.3939(15) . ? C16 H16 0.9500 . ? C17 H17 0.9500 . ? C18 C19 1.3977(15) . ? C18 C23 1.4025(14) . ? C19 C20 1.3907(16) . ? C19 C25 1.5024(16) . ? C20 C21 1.377(2) . ? C20 H20 0.9500 . ? C21 C22 1.378(2) . ? C21 H21 0.9500 . ? C22 C23 1.3881(16) . ? C22 H22 0.9500 . ? C23 C26 1.5004(18) . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C25 H2 0.990(17) . ? C25 H5 1.034(17) . ? C25 H8 0.983(16) . ? C26 H10 0.99(2) . ? C26 H11 0.99(2) . ? C26 H12 0.94(3) . ? 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 C2 O1 H1 103.9(11) . . ? C8 O2 C24 117.57(9) . . ? C11 N1 C18 124.05(8) . . ? C2 C1 C10 118.33(8) . . ? C2 C1 C11 118.02(8) . . ? C10 C1 C11 123.64(8) . . ? O1 C2 C1 122.67(9) . . ? O1 C2 C3 115.80(9) . . ? C1 C2 C3 121.52(9) . . ? C4 C3 C2 119.90(10) . . ? C4 C3 H3 120.0 . . ? C2 C3 H3 120.0 . . ? C3 C4 C5 121.33(9) . . ? C3 C4 H4 119.3 . . ? C5 C4 H4 119.3 . . ? C4 C5 C6 120.45(10) . . ? C4 C5 C10 119.87(10) . . ? C6 C5 C10 119.68(10) . . ? C7 C6 C5 121.49(10) . . ? C7 C6 H6 119.3 . . ? C5 C6 H6 119.3 . . ? C6 C7 C8 119.24(10) . . ? C6 C7 H7 120.4 . . ? C8 C7 H7 120.4 . . ? O2 C8 C9 124.55(10) . . ? O2 C8 C7 114.30(10) . . ? C9 C8 C7 121.15(10) . . ? C8 C9 C10 120.61(9) . . ? C8 C9 H9 119.7 . . ? C10 C9 H9 119.7 . . ? C9 C10 C5 117.74(9) . . ? C9 C10 C1 123.47(8) . . ? C5 C10 C1 118.75(9) . . ? N1 C11 C1 117.22(8) . . ? N1 C11 C12 123.19(8) . . ? C1 C11 C12 119.30(8) . . ? C17 C12 C13 119.62(9) . . ? C17 C12 C11 122.22(9) . . ? C13 C12 C11 118.16(8) . . ? C14 C13 C12 120.38(10) . . ? C14 C13 H13 119.8 . . ? C12 C13 H13 119.8 . . ? C15 C14 C13 119.82(11) . . ? C15 C14 H14 120.1 . . ? C13 C14 H14 120.1 . . ? C16 C15 C14 120.15(10) . . ? C16 C15 H15 119.9 . . ? C14 C15 H15 119.9 . . ? C15 C16 C17 120.44(11) . . ? C15 C16 H16 119.8 . . ? C17 C16 H16 119.8 . . ? C12 C17 C16 119.55(10) . . ? C12 C17 H17 120.2 . . ? C16 C17 H17 120.2 . . ? C19 C18 C23 121.52(9) . . ? C19 C18 N1 121.31(9) . . ? C23 C18 N1 116.82(9) . . ? C20 C19 C18 117.65(11) . . ? C20 C19 C25 119.97(11) . . ? C18 C19 C25 122.36(10) . . ? C21 C20 C19 121.62(13) . . ? C21 C20 H20 119.2 . . ? C19 C20 H20 119.2 . . ? C20 C21 C22 119.89(12) . . ? C20 C21 H21 120.1 . . ? C22 C21 H21 120.1 . . ? C21 C22 C23 120.91(12) . . ? C21 C22 H22 119.5 . . ? C23 C22 H22 119.5 . . ? C22 C23 C18 118.33(11) . . ? C22 C23 C26 120.68(11) . . ? C18 C23 C26 120.99(10) . . ? O2 C24 H24A 109.5 . . ? O2 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? O2 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C19 C25 H2 109.8(9) . . ? C19 C25 H5 111.5(9) . . ? H2 C25 H5 110.4(13) . . ? C19 C25 H8 112.1(9) . . ? H2 C25 H8 107.8(13) . . ? H5 C25 H8 105.0(13) . . ? C23 C26 H10 110.4(14) . . ? C23 C26 H11 112.4(13) . . ? H10 C26 H11 107.4(18) . . ? C23 C26 H12 113.8(15) . . ? H10 C26 H12 103.9(19) . . ? H11 C26 H12 108(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 C10 C1 C2 O1 174.93(9) . . . . ? C11 C1 C2 O1 -6.41(14) . . . . ? C10 C1 C2 C3 -6.40(14) . . . . ? C11 C1 C2 C3 172.26(9) . . . . ? O1 C2 C3 C4 -177.85(10) . . . . ? C1 C2 C3 C4 3.40(17) . . . . ? C2 C3 C4 C5 1.09(18) . . . . ? C3 C4 C5 C6 177.72(11) . . . . ? C3 C4 C5 C10 -2.32(17) . . . . ? C4 C5 C6 C7 -179.61(12) . . . . ? C10 C5 C6 C7 0.43(18) . . . . ? C5 C6 C7 C8 1.31(19) . . . . ? C24 O2 C8 C9 -1.33(17) . . . . ? C24 O2 C8 C7 177.95(11) . . . . ? C6 C7 C8 O2 -179.85(11) . . . . ? C6 C7 C8 C9 -0.54(18) . . . . ? O2 C8 C9 C10 177.25(10) . . . . ? C7 C8 C9 C10 -1.98(16) . . . . ? C8 C9 C10 C5 3.62(14) . . . . ? C8 C9 C10 C1 -178.49(9) . . . . ? C4 C5 C10 C9 177.19(9) . . . . ? C6 C5 C10 C9 -2.85(14) . . . . ? C4 C5 C10 C1 -0.80(14) . . . . ? C6 C5 C10 C1 179.15(9) . . . . ? C2 C1 C10 C9 -172.85(9) . . . . ? C11 C1 C10 C9 8.57(14) . . . . ? C2 C1 C10 C5 5.02(13) . . . . ? C11 C1 C10 C5 -173.55(8) . . . . ? C18 N1 C11 C1 -174.83(8) . . . . ? C18 N1 C11 C12 -1.11(15) . . . . ? C2 C1 C11 N1 30.61(12) . . . . ? C10 C1 C11 N1 -150.81(9) . . . . ? C2 C1 C11 C12 -143.36(9) . . . . ? C10 C1 C11 C12 35.22(13) . . . . ? N1 C11 C12 C17 52.50(14) . . . . ? C1 C11 C12 C17 -133.91(9) . . . . ? N1 C11 C12 C13 -126.86(10) . . . . ? C1 C11 C12 C13 46.74(12) . . . . ? C17 C12 C13 C14 -0.56(15) . . . . ? C11 C12 C13 C14 178.81(9) . . . . ? C12 C13 C14 C15 1.80(16) . . . . ? C13 C14 C15 C16 -1.33(17) . . . . ? C14 C15 C16 C17 -0.38(17) . . . . ? C13 C12 C17 C16 -1.14(15) . . . . ? C11 C12 C17 C16 179.52(9) . . . . ? C15 C16 C17 C12 1.61(16) . . . . ? C11 N1 C18 C19 72.72(13) . . . . ? C11 N1 C18 C23 -114.04(11) . . . . ? C23 C18 C19 C20 3.09(16) . . . . ? N1 C18 C19 C20 176.01(10) . . . . ? C23 C18 C19 C25 -175.21(10) . . . . ? N1 C18 C19 C25 -2.30(15) . . . . ? C18 C19 C20 C21 -0.8(2) . . . . ? C25 C19 C20 C21 177.59(14) . . . . ? C19 C20 C21 C22 -1.4(2) . . . . ? C20 C21 C22 C23 1.4(2) . . . . ? C21 C22 C23 C18 0.9(2) . . . . ? C21 C22 C23 C26 -179.52(14) . . . . ? C19 C18 C23 C22 -3.18(16) . . . . ? N1 C18 C23 C22 -176.40(10) . . . . ? C19 C18 C23 C26 177.24(11) . . . . ? N1 C18 C23 C26 4.02(16) . . . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 27.47 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.264 _refine_diff_density_min -0.161 _refine_diff_density_rms 0.034