# Copyright The Royal Society of Chemistry, 1999 # CCDC Number: 182/1199 data_1 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural '[1,2-C6H4(NCH2tBu)2CSi(NCH2tBu)2C6H4-1,2]' _chemical_formula_analytical ? _chemical_formula_sum 'C33 H52 N4 Si' _chemical_formula_weight 532.88 _chemical_melting_point ? _chemical_compound_source ? 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' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y+1/2, z+1/2' '-x, -y, -z' '-x-1/2, y-1/2, -z-1/2' _cell_length_a 10.212(4) _cell_length_b 16.231(5) _cell_length_c 19.776(8) _cell_angle_alpha 90.00 _cell_angle_beta 101.73(3) _cell_angle_gamma 90.00 _cell_volume 3209.4(21) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 7 _cell_measurement_theta_max 10 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.103 _exptl_crystal_density_method ? _exptl_crystal_F_000 1168 _exptl_absorpt_coefficient_mu 0.100 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device ' Enraf-Nonius CAD4' _diffrn_measurement_method \w--2\q _diffrn_standards_number 2 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 120 _diffrn_standards_decay_% 0 _diffrn_reflns_number 5961 _diffrn_reflns_av_R_equivalents 0.0528 _diffrn_reflns_av_sigmaI/netI 0.1419 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 2.09 _diffrn_reflns_theta_max 25.01 _reflns_number_total 5637 _reflns_number_observed 3093 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'Enraf-Nonius CAD4' _computing_cell_refinement 'Enraf-Nonius CAD4' _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics 'CAMERON (Watkin and Pearce,1993)' _computing_publication_material SHELXL-93 _refine_special_details ; Refinement on F^2^ for ALL reflections except for 1 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0614P)^2^+2.6981P] 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 riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5636 _refine_ls_number_parameters 343 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1556 _refine_ls_R_factor_obs 0.0750 _refine_ls_wR_factor_all 0.1982 _refine_ls_wR_factor_obs 0.1540 _refine_ls_goodness_of_fit_all 1.002 _refine_ls_goodness_of_fit_obs 1.072 _refine_ls_restrained_S_all 1.005 _refine_ls_restrained_S_obs 1.072 _refine_ls_shift/esd_max 0.000 _refine_ls_shift/esd_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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Si Si 0.61766(12) 0.57982(7) 0.25413(6) 0.0211(3) Uani 1 d . . N1 N 0.9239(3) 0.6332(2) 0.3051(2) 0.0215(8) Uani 1 d . . N2 N 0.8853(3) 0.5562(2) 0.2135(2) 0.0204(8) Uani 1 d . . N3 N 0.6208(3) 0.5751(2) 0.3449(2) 0.0225(8) Uani 1 d . . N4 N 0.5465(3) 0.6806(2) 0.2547(2) 0.0220(8) Uani 1 d . . C1 C 0.8246(4) 0.6065(3) 0.2529(2) 0.0203(10) Uani 1 d . . C2 C 1.0211(4) 0.5472(3) 0.2426(2) 0.0233(10) Uani 1 d . . C3 C 1.0458(4) 0.5965(3) 0.3007(2) 0.0222(10) Uani 1 d . . C4 C 1.1710(4) 0.5993(3) 0.3444(2) 0.0300(11) Uani 1 d . . H4 H 1.1880(4) 0.6327(3) 0.3847(2) 0.036 Uiso 1 calc R . C5 C 1.2686(5) 0.5510(3) 0.3261(3) 0.0364(13) Uani 1 d . . H5 H 1.3555(5) 0.5512(3) 0.3546(3) 0.044 Uiso 1 calc R . C6 C 1.2449(5) 0.5019(3) 0.2672(3) 0.0363(12) Uani 1 d . . H6 H 1.3158(5) 0.4699(3) 0.2564(3) 0.044 Uiso 1 calc R . C7 C 1.1203(5) 0.4987(3) 0.2241(3) 0.0306(11) Uani 1 d . . H7 H 1.1033(5) 0.4650(3) 0.1840(3) 0.037 Uiso 1 calc R . C8 C 0.9063(4) 0.6899(3) 0.3593(2) 0.0240(10) Uani 1 d . . H8B H 0.9657(4) 0.6722(3) 0.4028(2) 0.029 Uiso 1 calc R . H8A H 0.8130(4) 0.6850(3) 0.3658(2) 0.029 Uiso 1 calc R . C9 C 0.9345(5) 0.7813(3) 0.3472(2) 0.0296(11) Uani 1 d . . C10 C 0.9050(6) 0.8273(3) 0.4097(3) 0.0459(14) Uani 1 d . . H10C H 0.9644(6) 0.8071(3) 0.4517(3) 0.069 Uiso 1 calc R . H10B H 0.8117(6) 0.8180(3) 0.4130(3) 0.069 Uiso 1 calc R . H10A H 0.9200(6) 0.8864(3) 0.4045(3) 0.069 Uiso 1 calc R . C11 C 0.8433(6) 0.8121(3) 0.2819(3) 0.0443(14) Uani 1 d . . H11C H 0.7499(6) 0.8019(3) 0.2847(3) 0.066 Uiso 1 calc R . H11B H 0.8637(6) 0.7829(3) 0.2419(3) 0.066 Uiso 1 calc R . H11A H 0.8572(6) 0.8713(3) 0.2769(3) 0.066 Uiso 1 calc R . C12 C 1.0795(5) 0.7968(3) 0.3434(3) 0.0466(15) Uani 1 d . . H12C H 1.1380(5) 0.7768(3) 0.3858(3) 0.070 Uiso 1 calc R . H12B H 1.0938(5) 0.8560(3) 0.3385(3) 0.070 Uiso 1 calc R . H12A H 1.1004(5) 0.7676(3) 0.3036(3) 0.070 Uiso 1 calc R . C13 C 0.8176(4) 0.5162(3) 0.1490(2) 0.0244(10) Uani 1 d . . H13B H 0.7226(4) 0.5075(3) 0.1512(2) 0.029 Uiso 1 calc R . H13A H 0.8583(4) 0.4612(3) 0.1463(2) 0.029 Uiso 1 calc R . C14 C 0.8233(5) 0.5635(3) 0.0828(2) 0.0268(11) Uani 1 d . . C15 C 0.7461(6) 0.5128(3) 0.0228(2) 0.0440(14) Uani 1 d . . H15C H 0.7881(6) 0.4585(3) 0.0224(2) 0.066 Uiso 1 calc R . H15B H 0.7473(6) 0.5412(3) -0.0208(2) 0.066 Uiso 1 calc R . H15A H 0.6535(6) 0.5060(3) 0.0282(2) 0.066 Uiso 1 calc R . C16 C 0.7578(6) 0.6478(3) 0.0833(3) 0.0450(14) Uani 1 d . . H16C H 0.6657(6) 0.6410(3) 0.0896(3) 0.068 Uiso 1 calc R . H16B H 0.7574(6) 0.6757(3) 0.0393(3) 0.068 Uiso 1 calc R . H16A H 0.8083(6) 0.6809(3) 0.1212(3) 0.068 Uiso 1 calc R . C17 C 0.9664(5) 0.5745(3) 0.0730(2) 0.0400(13) Uani 1 d . . H17C H 1.0089(5) 0.5204(3) 0.0727(2) 0.060 Uiso 1 calc R . H17B H 1.0167(5) 0.6077(3) 0.1110(2) 0.060 Uiso 1 calc R . H17A H 0.9657(5) 0.6025(3) 0.0290(2) 0.060 Uiso 1 calc R . C18 C 0.5769(4) 0.6473(3) 0.3717(2) 0.0202(10) Uani 1 d . . C19 C 0.5357(4) 0.7075(3) 0.3196(2) 0.0224(10) Uani 1 d . . C20 C 0.4871(5) 0.7827(3) 0.3370(2) 0.0291(11) Uani 1 d . . H20 H 0.4600(5) 0.8234(3) 0.3025(2) 0.035 Uiso 1 calc R . C21 C 0.4781(5) 0.7984(3) 0.4049(2) 0.0325(12) Uani 1 d . . H21 H 0.4455(5) 0.8502(3) 0.4167(2) 0.039 Uiso 1 calc R . C22 C 0.5159(5) 0.7397(3) 0.4554(2) 0.0312(12) Uani 1 d . . H22 H 0.5079(5) 0.7507(3) 0.5016(2) 0.037 Uiso 1 calc R . C23 C 0.5660(5) 0.6642(3) 0.4385(2) 0.0283(11) Uani 1 d . . H23 H 0.5929(5) 0.6240(3) 0.4735(2) 0.034 Uiso 1 calc R . C24 C 0.6163(4) 0.4960(3) 0.3804(2) 0.0290(11) Uani 1 d . . H24B H 0.5764(4) 0.4549(3) 0.3451(2) 0.035 Uiso 1 calc R . H24A H 0.5536(4) 0.5023(3) 0.4122(2) 0.035 Uiso 1 calc R . C25 C 0.7450(5) 0.4591(3) 0.4216(2) 0.0312(12) Uani 1 d . . C26 C 0.8469(5) 0.4465(3) 0.3760(3) 0.0388(13) Uani 1 d . . H26C H 0.8687(5) 0.4998(3) 0.3577(3) 0.058 Uiso 1 calc R . H26B H 0.8092(5) 0.4098(3) 0.3376(3) 0.058 Uiso 1 calc R . H26A H 0.9282(5) 0.4218(3) 0.4033(3) 0.058 Uiso 1 calc R . C27 C 0.8057(5) 0.5150(3) 0.4833(3) 0.0413(13) Uani 1 d . . H27C H 0.8279(5) 0.5688(3) 0.4661(3) 0.062 Uiso 1 calc R . H27B H 0.8870(5) 0.4893(3) 0.5098(3) 0.062 Uiso 1 calc R . H27A H 0.7407(5) 0.5222(3) 0.5131(3) 0.062 Uiso 1 calc R . C28 C 0.7119(6) 0.3767(3) 0.4496(3) 0.0466(15) Uani 1 d . . H28C H 0.7936(6) 0.3518(3) 0.4764(3) 0.070 Uiso 1 calc R . H28B H 0.6735(6) 0.3403(3) 0.4111(3) 0.070 Uiso 1 calc R . H28A H 0.6471(6) 0.3846(3) 0.4794(3) 0.070 Uiso 1 calc R . C29 C 0.5122(4) 0.7349(3) 0.1946(2) 0.0231(10) Uani 1 d . . H29B H 0.5781(4) 0.7258(3) 0.1650(2) 0.028 Uiso 1 calc R . H29A H 0.5225(4) 0.7926(3) 0.2111(2) 0.028 Uiso 1 calc R . C30 C 0.3706(4) 0.7253(3) 0.1495(2) 0.0262(11) Uani 1 d . . C31 C 0.3563(6) 0.7916(4) 0.0934(3) 0.050(2) Uani 1 d . . H31C H 0.4252(6) 0.7836(4) 0.0660(3) 0.074 Uiso 1 calc R . H31B H 0.3668(6) 0.8462(4) 0.1150(3) 0.074 Uiso 1 calc R . H31A H 0.2676(6) 0.7875(4) 0.0632(3) 0.074 Uiso 1 calc R . C32 C 0.2635(5) 0.7378(3) 0.1918(3) 0.0378(13) Uani 1 d . . H32C H 0.2746(5) 0.7922(3) 0.2137(3) 0.057 Uiso 1 calc R . H32B H 0.2720(5) 0.6951(3) 0.2275(3) 0.057 Uiso 1 calc R . H32A H 0.1749(5) 0.7342(3) 0.1615(3) 0.057 Uiso 1 calc R . C33 C 0.3522(5) 0.6404(3) 0.1157(3) 0.0370(13) Uani 1 d . . H33C H 0.4210(5) 0.6319(3) 0.0883(3) 0.056 Uiso 1 calc R . H33B H 0.2635(5) 0.6370(3) 0.0855(3) 0.056 Uiso 1 calc R . H33A H 0.3606(5) 0.5980(3) 0.1515(3) 0.056 Uiso 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 Si 0.0181(6) 0.0208(6) 0.0240(7) -0.0031(6) 0.0032(5) 0.0004(6) N1 0.015(2) 0.026(2) 0.023(2) -0.001(2) 0.003(2) -0.004(2) N2 0.017(2) 0.023(2) 0.022(2) 0.000(2) 0.005(2) -0.001(2) N3 0.023(2) 0.020(2) 0.024(2) 0.003(2) 0.003(2) 0.002(2) N4 0.023(2) 0.024(2) 0.019(2) 0.000(2) 0.002(2) 0.002(2) C1 0.022(2) 0.020(2) 0.019(2) 0.002(2) 0.005(2) 0.002(2) C2 0.021(2) 0.022(2) 0.030(3) 0.006(2) 0.012(2) 0.002(2) C3 0.020(2) 0.027(3) 0.020(2) 0.004(2) 0.004(2) -0.004(2) C4 0.025(3) 0.030(3) 0.033(3) 0.003(2) 0.002(2) 0.001(2) C5 0.026(3) 0.032(3) 0.050(3) 0.011(3) 0.003(2) 0.001(2) C6 0.026(3) 0.032(3) 0.052(3) 0.005(3) 0.011(2) 0.006(2) C7 0.029(3) 0.027(3) 0.039(3) 0.002(2) 0.014(2) 0.002(2) C8 0.025(2) 0.029(3) 0.018(2) -0.002(2) 0.005(2) 0.000(2) C9 0.027(3) 0.028(3) 0.031(3) -0.006(2) 0.000(2) -0.007(2) C10 0.054(4) 0.038(3) 0.045(3) -0.017(3) 0.010(3) 0.000(3) C11 0.053(4) 0.029(3) 0.044(3) 0.003(3) -0.005(3) -0.010(3) C12 0.040(3) 0.030(3) 0.074(4) -0.002(3) 0.020(3) -0.006(3) C13 0.024(2) 0.025(2) 0.025(2) -0.007(2) 0.007(2) -0.005(2) C14 0.032(3) 0.031(3) 0.021(2) -0.002(2) 0.014(2) -0.001(2) C15 0.062(4) 0.044(3) 0.025(3) -0.004(2) 0.007(3) -0.016(3) C16 0.066(4) 0.040(3) 0.029(3) 0.005(3) 0.007(3) 0.009(3) C17 0.043(3) 0.048(3) 0.032(3) 0.004(3) 0.016(2) -0.004(3) C18 0.011(2) 0.026(2) 0.023(2) -0.001(2) 0.003(2) 0.000(2) C19 0.015(2) 0.024(2) 0.025(2) -0.003(2) -0.001(2) -0.003(2) C20 0.036(3) 0.024(3) 0.027(3) 0.002(2) 0.004(2) 0.006(2) C21 0.042(3) 0.026(3) 0.032(3) -0.009(2) 0.011(2) 0.007(2) C22 0.036(3) 0.035(3) 0.024(3) -0.007(2) 0.007(2) 0.001(2) C23 0.031(3) 0.032(3) 0.023(3) 0.003(2) 0.006(2) 0.002(2) C24 0.027(3) 0.030(3) 0.030(3) -0.001(2) 0.004(2) -0.002(2) C25 0.033(3) 0.030(3) 0.032(3) 0.010(2) 0.010(2) 0.007(2) C26 0.032(3) 0.043(3) 0.043(3) 0.014(3) 0.013(2) 0.015(2) C27 0.037(3) 0.045(3) 0.039(3) 0.001(3) -0.001(2) 0.009(3) C28 0.052(4) 0.035(3) 0.051(4) 0.013(3) 0.007(3) 0.003(3) C29 0.018(2) 0.028(3) 0.023(2) 0.000(2) 0.004(2) -0.002(2) C30 0.020(2) 0.031(3) 0.026(2) 0.004(2) 0.000(2) -0.001(2) C31 0.041(3) 0.056(4) 0.042(3) 0.023(3) -0.015(3) -0.007(3) C32 0.022(3) 0.048(3) 0.041(3) 0.001(3) 0.000(2) -0.001(2) C33 0.029(3) 0.046(3) 0.032(3) -0.004(2) -0.003(2) -0.006(2) _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 Si N4 1.790(4) . ? Si N3 1.791(4) . ? Si C1 2.162(5) . ? N1 C1 1.362(5) . ? N1 C3 1.398(5) . ? N1 C8 1.452(5) . ? N2 C1 1.362(5) . ? N2 C2 1.397(5) . ? N2 C13 1.471(5) . ? N3 C18 1.397(5) . ? N3 C24 1.469(5) . ? N4 C19 1.381(5) . ? N4 C29 1.465(5) . ? C2 C3 1.381(6) . ? C2 C7 1.390(6) . ? C3 C4 1.390(6) . ? C4 C5 1.374(7) . ? C5 C6 1.391(7) . ? C6 C7 1.381(7) . ? C8 C9 1.539(6) . ? C9 C11 1.515(7) . ? C9 C12 1.519(7) . ? C9 C10 1.525(6) . ? C13 C14 1.529(6) . ? C14 C16 1.523(7) . ? C14 C17 1.524(6) . ? C14 C15 1.526(6) . ? C18 C23 1.375(6) . ? C18 C19 1.422(6) . ? C19 C20 1.386(6) . ? C20 C21 1.389(6) . ? C21 C22 1.377(7) . ? C22 C23 1.395(6) . ? C24 C25 1.522(6) . ? C25 C28 1.512(6) . ? C25 C26 1.523(6) . ? C25 C27 1.544(7) . ? C29 C30 1.546(6) . ? C30 C32 1.519(6) . ? C30 C33 1.525(6) . ? C30 C31 1.532(6) . ? 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 N4 Si N3 87.5(2) . . ? N4 Si C1 102.5(2) . . ? N3 Si C1 101.6(2) . . ? C1 N1 C3 110.7(3) . . ? C1 N1 C8 125.2(4) . . ? C3 N1 C8 124.1(4) . . ? C1 N2 C2 110.8(3) . . ? C1 N2 C13 124.9(4) . . ? C2 N2 C13 124.3(4) . . ? C18 N3 C24 120.5(3) . . ? C18 N3 Si 113.8(3) . . ? C24 N3 Si 121.4(3) . . ? C19 N4 C29 120.8(4) . . ? C19 N4 Si 113.9(3) . . ? C29 N4 Si 125.1(3) . . ? N1 C1 N2 105.6(4) . . ? N1 C1 Si 129.3(3) . . ? N2 C1 Si 116.5(3) . . ? C3 C2 C7 121.8(4) . . ? C3 C2 N2 106.4(4) . . ? C7 C2 N2 131.8(4) . . ? C2 C3 C4 121.7(4) . . ? C2 C3 N1 106.4(4) . . ? C4 C3 N1 131.7(4) . . ? C5 C4 C3 116.2(5) . . ? C4 C5 C6 122.4(5) . . ? C7 C6 C5 121.3(5) . . ? C6 C7 C2 116.5(5) . . ? N1 C8 C9 116.2(4) . . ? C11 C9 C12 109.9(4) . . ? C11 C9 C10 109.9(4) . . ? C12 C9 C10 108.3(4) . . ? C11 C9 C8 110.3(4) . . ? C12 C9 C8 112.5(4) . . ? C10 C9 C8 105.8(4) . . ? N2 C13 C14 115.3(4) . . ? C16 C14 C17 109.2(4) . . ? C16 C14 C15 109.4(4) . . ? C17 C14 C15 108.7(4) . . ? C16 C14 C13 110.7(4) . . ? C17 C14 C13 111.8(4) . . ? C15 C14 C13 107.0(4) . . ? C23 C18 N3 128.8(4) . . ? C23 C18 C19 119.3(4) . . ? N3 C18 C19 111.8(4) . . ? N4 C19 C20 127.6(4) . . ? N4 C19 C18 112.8(4) . . ? C20 C19 C18 119.6(4) . . ? C19 C20 C21 119.9(4) . . ? C22 C21 C20 120.7(4) . . ? C21 C22 C23 119.8(4) . . ? C18 C23 C22 120.7(4) . . ? N3 C24 C25 119.5(4) . . ? C28 C25 C24 108.1(4) . . ? C28 C25 C26 109.1(4) . . ? C24 C25 C26 110.8(4) . . ? C28 C25 C27 108.3(4) . . ? C24 C25 C27 110.9(4) . . ? C26 C25 C27 109.5(4) . . ? N4 C29 C30 116.7(4) . . ? C32 C30 C33 108.9(4) . . ? C32 C30 C31 109.4(4) . . ? C33 C30 C31 109.4(4) . . ? C32 C30 C29 111.2(4) . . ? C33 C30 C29 111.2(4) . . ? C31 C30 C29 106.7(4) . . ? _refine_diff_density_max 0.394 _refine_diff_density_min -0.257 _refine_diff_density_rms 0.063