# Electronic Supplementary Material (ESI) for RSC Advances # This journal is © The Royal Society of Chemistry 2011 data_global #TrackingRef 'C1CC11923K-ccdc-771903-cif-1-.txt' _journal_name_full 'RSC Advances' _journal_coden_cambridge 1500 _publ_contact_author_name 'Hoe-Joo Seo' _publ_contact_author_email andaseo@nate.com loop_ _publ_author_name 'H.-J. Seo' 'Myungkwan Song' 'Sung-Ho Jin' 'J. H. Choi' 'Sung-Jae Yun' 'Y.-I. Kim' data_19 #TrackingRef 'C1CC11923K-ccdc-771903-cif-1-.txt' _database_code_depnum_ccdc_archive 'CCDC 771903' #TrackingRef '833_web_deposit_cif_file_0_Hoe-JooSeo_1270103126.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; C30H28N2F2 ; _chemical_name_common C30H28N2F2 _chemical_melting_point 'not measured' _chemical_formula_moiety C30H28N2F2 _chemical_formula_sum 'C30 H28 F2 N2' _chemical_formula_weight 454.54 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' F F 0.0171 0.0103 '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 5.0573(13) _cell_length_b 14.471(4) _cell_length_c 31.891(9) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2333.9(11) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 7419 _cell_measurement_theta_min 3.0910 _cell_measurement_theta_max 27.4835 _exptl_crystal_description block _exptl_crystal_colour Colorless _exptl_crystal_size_max 0.45 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.294 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 960 _exptl_absorpt_coefficient_mu 0.086 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.980 _exptl_absorpt_correction_T_max 0.985 _exptl_absorpt_process_details 'Sphere (Rigaku CrystalClear)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 123.1500 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating-anode generator' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku Mercury CCD' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 15000 _diffrn_reflns_av_R_equivalents 0.0392 _diffrn_reflns_av_sigmaI/netI 0.0361 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -34 _diffrn_reflns_limit_l_max 37 _diffrn_reflns_theta_min 3.09 _diffrn_reflns_theta_max 25.02 _reflns_number_total 4091 _reflns_number_gt 3884 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrystalClear (Rigaku Corp., 2002)' _computing_cell_refinement 'CrystalClear (Rigaku Corp., 2002)' _computing_data_reduction 'CrystalClear (Rigaku Corp., 2002)' _computing_structure_solution 'Siemens SHELXTL^TM^ 5' _computing_structure_refinement 'Siemens SHELXTL^TM^ 5' _computing_molecular_graphics ? _computing_publication_material 'Siemens SHELXTL^TM^ 5' _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^)+(0.0324P)^2^+0.3353P] 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 1.0(6) _refine_ls_number_reflns 4091 _refine_ls_number_parameters 307 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0360 _refine_ls_R_factor_gt 0.0335 _refine_ls_wR_factor_ref 0.0802 _refine_ls_wR_factor_gt 0.0784 _refine_ls_goodness_of_fit_ref 1.082 _refine_ls_restrained_S_all 1.082 _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 F1 F 0.0988(2) 0.14954(7) 0.10191(3) 0.0354(2) Uani 1 1 d . . . F2 F -0.3048(2) -0.09778(6) 0.03312(3) 0.0315(2) Uani 1 1 d . . . N1 N -0.7950(3) 0.09302(10) -0.03238(5) 0.0334(4) Uani 1 1 d . . . N2 N -0.0485(3) -0.41480(9) 0.21769(4) 0.0263(3) Uani 1 1 d . . . C1 C -1.0154(5) -0.18865(14) -0.05598(7) 0.0550(6) Uani 1 1 d . . . H1A H -1.1553 -0.1912 -0.0763 0.083 Uiso 1 1 calc R . . H1B H -1.0753 -0.2153 -0.0301 0.083 Uiso 1 1 calc R . . H1C H -0.8657 -0.2227 -0.0662 0.083 Uiso 1 1 calc R . . C2 C -0.9371(4) -0.08953(12) -0.04875(5) 0.0336(4) Uani 1 1 d . . . C3 C -1.0659(4) -0.01771(13) -0.06832(5) 0.0343(4) Uani 1 1 d . . . H3A H -1.2025 -0.0288 -0.0872 0.041 Uiso 1 1 calc R . . C4 C -0.9866(4) 0.07147(13) -0.05913(6) 0.0377(4) Uani 1 1 d . . . H4A H -1.0735 0.1197 -0.0726 0.045 Uiso 1 1 calc R . . C5 C -0.6684(3) 0.02346(11) -0.01274(5) 0.0261(4) Uani 1 1 d . . . C6 C -0.7354(4) -0.06789(12) -0.02073(5) 0.0320(4) Uani 1 1 d . . . H6A H -0.6446 -0.1151 -0.0072 0.038 Uiso 1 1 calc R . . C7 C -0.4627(3) 0.05365(11) 0.01779(5) 0.0245(4) Uani 1 1 d . . . C8 C -0.4328(4) 0.14784(11) 0.02670(5) 0.0285(4) Uani 1 1 d . . . H8A H -0.5430 0.1901 0.0134 0.034 Uiso 1 1 calc R . . C9 C -0.2453(4) 0.18007(11) 0.05460(5) 0.0308(4) Uani 1 1 d . . . H9A H -0.2279 0.2430 0.0598 0.037 Uiso 1 1 calc R . . C10 C -0.0855(4) 0.11750(11) 0.07449(5) 0.0278(4) Uani 1 1 d . . . C11 C -0.0994(3) 0.02328(11) 0.06799(5) 0.0246(4) Uani 1 1 d . . . C12 C -0.2917(3) -0.00471(10) 0.03963(5) 0.0248(4) Uani 1 1 d . . . C13 C 0.0814(4) -0.04452(11) 0.08945(5) 0.0271(4) Uani 1 1 d . . . H13A H 0.2404 -0.0124 0.0982 0.032 Uiso 1 1 calc R . . H13B H 0.1329 -0.0916 0.0694 0.032 Uiso 1 1 calc R . . C14 C -0.0408(4) -0.09181(11) 0.12774(5) 0.0271(4) Uani 1 1 d . . . H14A H -0.0890 -0.0455 0.1484 0.033 Uiso 1 1 calc R . . H14B H -0.2005 -0.1241 0.1194 0.033 Uiso 1 1 calc R . . C15 C 0.1519(3) -0.16002(11) 0.14722(5) 0.0248(4) Uani 1 1 d . . . H15A H 0.3075 -0.1264 0.1564 0.030 Uiso 1 1 calc R . . H15B H 0.2077 -0.2033 0.1257 0.030 Uiso 1 1 calc R . . C16 C 0.0436(4) -0.21492(11) 0.18451(5) 0.0282(4) Uani 1 1 d . . . H16A H 0.1874 -0.2487 0.1975 0.034 Uiso 1 1 calc R . . H16B H -0.0267 -0.1722 0.2051 0.034 Uiso 1 1 calc R . . C17 C -0.1717(3) -0.28245(12) 0.17193(6) 0.0309(4) Uani 1 1 d . . . H17A H -0.1103 -0.3180 0.1480 0.037 Uiso 1 1 calc R . . H17B H -0.3257 -0.2476 0.1630 0.037 Uiso 1 1 calc R . . C18 C -0.2552(3) -0.34949(12) 0.20655(6) 0.0318(4) Uani 1 1 d . . . H18A H -0.3042 -0.3144 0.2313 0.038 Uiso 1 1 calc R . . H18B H -0.4100 -0.3834 0.1973 0.038 Uiso 1 1 calc R . . C19 C 0.1192(3) -0.40991(11) 0.25209(5) 0.0256(4) Uani 1 1 d . . . C20 C 0.1342(4) -0.34332(12) 0.28358(5) 0.0315(4) Uani 1 1 d . . . H20A H 0.0184 -0.2934 0.2842 0.038 Uiso 1 1 calc R . . C21 C 0.3265(4) -0.35417(13) 0.31373(5) 0.0354(4) Uani 1 1 d . . . H21A H 0.3384 -0.3110 0.3353 0.042 Uiso 1 1 calc R . . C22 C 0.5044(4) -0.42811(12) 0.31297(5) 0.0342(4) Uani 1 1 d . . . H22A H 0.6342 -0.4328 0.3335 0.041 Uiso 1 1 calc R . . C23 C 0.4879(3) -0.49415(12) 0.28185(5) 0.0303(4) Uani 1 1 d . . . H23A H 0.6067 -0.5432 0.2812 0.036 Uiso 1 1 calc R . . C24 C 0.2912(3) -0.48656(11) 0.25141(5) 0.0248(4) Uani 1 1 d . . . C25 C 0.2224(3) -0.54049(11) 0.21501(5) 0.0245(3) Uani 1 1 d . . . C26 C 0.3165(4) -0.62282(11) 0.19778(5) 0.0300(4) Uani 1 1 d . . . H26A H 0.4552 -0.6544 0.2105 0.036 Uiso 1 1 calc R . . C27 C 0.2014(4) -0.65682(12) 0.16174(6) 0.0346(4) Uani 1 1 d . . . H27A H 0.2638 -0.7115 0.1500 0.042 Uiso 1 1 calc R . . C28 C -0.0073(4) -0.61005(12) 0.14267(5) 0.0349(4) Uani 1 1 d . . . H28A H -0.0831 -0.6347 0.1186 0.042 Uiso 1 1 calc R . . C29 C -0.1048(4) -0.52798(12) 0.15866(5) 0.0324(4) Uani 1 1 d . . . H29A H -0.2428 -0.4968 0.1456 0.039 Uiso 1 1 calc R . . C30 C 0.0119(3) -0.49376(11) 0.19512(5) 0.0259(4) Uani 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 F1 0.0430(6) 0.0324(5) 0.0306(5) -0.0027(4) -0.0079(5) -0.0042(5) F2 0.0365(6) 0.0184(5) 0.0396(6) 0.0023(4) -0.0030(5) -0.0001(4) N1 0.0342(8) 0.0303(8) 0.0358(8) 0.0105(6) -0.0048(7) -0.0034(7) N2 0.0260(7) 0.0249(7) 0.0281(7) 0.0057(6) 0.0011(6) 0.0030(6) C1 0.0675(16) 0.0390(11) 0.0586(14) -0.0171(10) -0.0194(13) -0.0012(11) C2 0.0396(11) 0.0354(9) 0.0258(9) -0.0081(7) 0.0011(8) -0.0001(9) C3 0.0315(10) 0.0461(11) 0.0251(9) -0.0001(8) -0.0002(8) -0.0048(9) C4 0.0335(10) 0.0406(11) 0.0390(11) 0.0143(8) -0.0045(9) -0.0026(9) C5 0.0297(9) 0.0281(9) 0.0204(8) 0.0039(7) 0.0070(7) 0.0010(7) C6 0.0387(10) 0.0291(9) 0.0283(9) -0.0017(7) -0.0014(8) 0.0043(8) C7 0.0289(9) 0.0242(8) 0.0203(8) 0.0027(6) 0.0039(7) -0.0007(7) C8 0.0374(9) 0.0228(8) 0.0252(9) 0.0050(6) 0.0014(8) 0.0029(8) C9 0.0452(11) 0.0195(8) 0.0275(9) -0.0009(7) 0.0023(9) 0.0003(8) C10 0.0338(10) 0.0293(9) 0.0202(8) -0.0012(7) 0.0006(7) -0.0035(8) C11 0.0265(9) 0.0253(8) 0.0220(8) 0.0050(6) 0.0058(7) -0.0002(7) C12 0.0317(9) 0.0171(7) 0.0255(8) 0.0017(6) 0.0065(8) -0.0012(7) C13 0.0286(9) 0.0265(8) 0.0261(9) 0.0027(7) 0.0031(7) 0.0013(8) C14 0.0275(9) 0.0261(8) 0.0278(9) 0.0049(7) 0.0054(7) 0.0033(8) C15 0.0259(8) 0.0224(8) 0.0260(9) 0.0012(7) 0.0029(7) 0.0021(7) C16 0.0308(9) 0.0260(8) 0.0279(9) 0.0044(7) 0.0019(8) 0.0042(8) C17 0.0248(9) 0.0304(9) 0.0376(10) 0.0102(8) -0.0002(8) 0.0015(8) C18 0.0252(9) 0.0305(9) 0.0397(10) 0.0094(8) 0.0056(8) 0.0046(8) C19 0.0259(9) 0.0254(8) 0.0257(9) 0.0055(7) 0.0040(7) -0.0033(7) C20 0.0348(10) 0.0266(9) 0.0331(10) 0.0011(7) 0.0089(8) -0.0025(8) C21 0.0421(11) 0.0373(10) 0.0268(9) -0.0020(8) 0.0077(9) -0.0136(9) C22 0.0352(10) 0.0406(10) 0.0267(9) 0.0068(7) -0.0038(8) -0.0095(9) C23 0.0283(9) 0.0312(9) 0.0313(9) 0.0089(7) 0.0006(8) -0.0012(8) C24 0.0244(8) 0.0249(8) 0.0251(8) 0.0074(7) 0.0025(7) -0.0055(7) C25 0.0238(8) 0.0249(8) 0.0248(8) 0.0055(7) 0.0032(7) -0.0040(7) C26 0.0307(9) 0.0249(9) 0.0342(10) 0.0051(7) 0.0037(8) -0.0011(8) C27 0.0417(11) 0.0268(9) 0.0354(10) -0.0023(8) 0.0088(9) -0.0074(9) C28 0.0407(11) 0.0354(9) 0.0285(9) -0.0001(7) -0.0003(9) -0.0114(9) C29 0.0303(10) 0.0373(10) 0.0297(9) 0.0081(8) -0.0028(8) -0.0060(8) C30 0.0250(9) 0.0255(8) 0.0271(8) 0.0057(7) 0.0030(7) -0.0025(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 F1 C10 1.360(2) . ? F2 C12 1.3643(18) . ? N1 C4 1.328(2) . ? N1 C5 1.347(2) . ? N2 C30 1.385(2) . ? N2 C19 1.388(2) . ? N2 C18 1.453(2) . ? C1 C2 1.506(3) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 C3 1.376(3) . ? C2 C6 1.392(3) . ? C3 C4 1.383(3) . ? C3 H3A 0.9300 . ? C4 H4A 0.9300 . ? C5 C6 1.388(2) . ? C5 C7 1.490(2) . ? C6 H6A 0.9300 . ? C7 C12 1.395(2) . ? C7 C8 1.400(2) . ? C8 C9 1.382(2) . ? C8 H8A 0.9300 . ? C9 C10 1.369(2) . ? C9 H9A 0.9300 . ? C10 C11 1.381(2) . ? C11 C12 1.389(2) . ? C11 C13 1.505(2) . ? C13 C14 1.530(2) . ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C14 C15 1.520(2) . ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 C16 1.531(2) . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C16 C17 1.517(2) . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C17 C18 1.529(2) . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C19 C20 1.394(2) . ? C19 C24 1.410(2) . ? C20 C21 1.377(3) . ? C20 H20A 0.9300 . ? C21 C22 1.398(3) . ? C21 H21A 0.9300 . ? C22 C23 1.380(2) . ? C22 H22A 0.9300 . ? C23 C24 1.394(2) . ? C23 H23A 0.9300 . ? C24 C25 1.442(2) . ? C25 C26 1.395(2) . ? C25 C30 1.412(2) . ? C26 C27 1.379(2) . ? C26 H26A 0.9300 . ? C27 C28 1.394(3) . ? C27 H27A 0.9300 . ? C28 C29 1.383(3) . ? C28 H28A 0.9300 . ? C29 C30 1.395(2) . ? C29 H29A 0.9300 . ? 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 C4 N1 C5 118.03(15) . . ? C30 N2 C19 108.55(13) . . ? C30 N2 C18 124.62(15) . . ? C19 N2 C18 126.84(14) . . ? C2 C1 H1A 109.5 . . ? C2 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? C2 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? C3 C2 C6 117.92(17) . . ? C3 C2 C1 121.69(18) . . ? C6 C2 C1 120.36(17) . . ? C2 C3 C4 118.11(17) . . ? C2 C3 H3A 120.9 . . ? C4 C3 H3A 120.9 . . ? N1 C4 C3 124.53(17) . . ? N1 C4 H4A 117.7 . . ? C3 C4 H4A 117.7 . . ? N1 C5 C6 120.67(16) . . ? N1 C5 C7 114.61(14) . . ? C6 C5 C7 124.71(15) . . ? C5 C6 C2 120.73(16) . . ? C5 C6 H6A 119.6 . . ? C2 C6 H6A 119.6 . . ? C12 C7 C8 114.91(15) . . ? C12 C7 C5 125.55(14) . . ? C8 C7 C5 119.54(15) . . ? C9 C8 C7 122.22(16) . . ? C9 C8 H8A 118.9 . . ? C7 C8 H8A 118.9 . . ? C10 C9 C8 118.69(15) . . ? C10 C9 H9A 120.7 . . ? C8 C9 H9A 120.7 . . ? F1 C10 C9 118.49(14) . . ? F1 C10 C11 117.91(15) . . ? C9 C10 C11 123.60(16) . . ? C10 C11 C12 114.92(15) . . ? C10 C11 C13 122.99(16) . . ? C12 C11 C13 122.09(14) . . ? F2 C12 C11 114.90(14) . . ? F2 C12 C7 119.45(14) . . ? C11 C12 C7 125.65(15) . . ? C11 C13 C14 114.15(14) . . ? C11 C13 H13A 108.7 . . ? C14 C13 H13A 108.7 . . ? C11 C13 H13B 108.7 . . ? C14 C13 H13B 108.7 . . ? H13A C13 H13B 107.6 . . ? C15 C14 C13 110.95(14) . . ? C15 C14 H14A 109.4 . . ? C13 C14 H14A 109.4 . . ? C15 C14 H14B 109.4 . . ? C13 C14 H14B 109.4 . . ? H14A C14 H14B 108.0 . . ? C14 C15 C16 115.14(14) . . ? C14 C15 H15A 108.5 . . ? C16 C15 H15A 108.5 . . ? C14 C15 H15B 108.5 . . ? C16 C15 H15B 108.5 . . ? H15A C15 H15B 107.5 . . ? C17 C16 C15 112.69(14) . . ? C17 C16 H16A 109.1 . . ? C15 C16 H16A 109.1 . . ? C17 C16 H16B 109.1 . . ? C15 C16 H16B 109.1 . . ? H16A C16 H16B 107.8 . . ? C16 C17 C18 114.59(15) . . ? C16 C17 H17A 108.6 . . ? C18 C17 H17A 108.6 . . ? C16 C17 H17B 108.6 . . ? C18 C17 H17B 108.6 . . ? H17A C17 H17B 107.6 . . ? N2 C18 C17 112.99(14) . . ? N2 C18 H18A 109.0 . . ? C17 C18 H18A 109.0 . . ? N2 C18 H18B 109.0 . . ? C17 C18 H18B 109.0 . . ? H18A C18 H18B 107.8 . . ? N2 C19 C20 129.61(16) . . ? N2 C19 C24 108.96(14) . . ? C20 C19 C24 121.43(16) . . ? C21 C20 C19 117.57(17) . . ? C21 C20 H20A 121.2 . . ? C19 C20 H20A 121.2 . . ? C20 C21 C22 121.99(17) . . ? C20 C21 H21A 119.0 . . ? C22 C21 H21A 119.0 . . ? C23 C22 C21 120.23(17) . . ? C23 C22 H22A 119.9 . . ? C21 C22 H22A 119.9 . . ? C22 C23 C24 119.29(16) . . ? C22 C23 H23A 120.4 . . ? C24 C23 H23A 120.4 . . ? C23 C24 C19 119.45(15) . . ? C23 C24 C25 133.66(16) . . ? C19 C24 C25 106.81(14) . . ? C26 C25 C30 119.28(16) . . ? C26 C25 C24 134.19(16) . . ? C30 C25 C24 106.53(14) . . ? C27 C26 C25 119.27(17) . . ? C27 C26 H26A 120.4 . . ? C25 C26 H26A 120.4 . . ? C26 C27 C28 120.66(17) . . ? C26 C27 H27A 119.7 . . ? C28 C27 H27A 119.7 . . ? C29 C28 C27 121.74(17) . . ? C29 C28 H28A 119.1 . . ? C27 C28 H28A 119.1 . . ? C28 C29 C30 117.49(17) . . ? C28 C29 H29A 121.3 . . ? C30 C29 H29A 121.3 . . ? N2 C30 C29 129.29(16) . . ? N2 C30 C25 109.15(14) . . ? C29 C30 C25 121.56(16) . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 25.02 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.156 _refine_diff_density_min -0.137 _refine_diff_density_rms 0.032