 
data_ih2159 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C35 H50 N2 O6' 
_chemical_formula_weight          594.77 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 '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'   0.0311   0.0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 '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/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                    12.722(4) 
_cell_length_b                    17.796(3) 
_cell_length_c                    15.650(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  107.430(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      3380.5(13) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.50 
_exptl_crystal_size_mid           0.25 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.169 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1288 
_exptl_absorpt_coefficient_mu     0.633 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   0.7426 
_exptl_absorpt_correction_T_max   0.9394 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       296(2) 
_diffrn_radiation_wavelength      1.54180 
_diffrn_radiation_type            CuK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             5737 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.0256 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        20 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          3.86 
_diffrn_reflns_theta_max          65.10 
_reflns_number_total              5737 
_reflns_number_gt                 4080 
_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 F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0969P)²+1.5398P] where P=(Fo²+2Fc²)/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        0.0053(4) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          5737 
_refine_ls_number_parameters      389 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0868 
_refine_ls_R_factor_gt            0.0601 
_refine_ls_wR_factor_ref          0.1799 
_refine_ls_wR_factor_gt           0.1569 
_refine_ls_goodness_of_fit_ref    1.040 
_refine_ls_restrained_S_all       1.040 
_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 
C1 C 0.57464(17) 0.09167(12) 0.49381(14) 0.0336(5) Uani 1 1 d . . . 
C2 C 0.66789(18) 0.13664(13) 0.50582(15) 0.0385(5) Uani 1 1 d . . . 
C3 C 0.68898(19) 0.16485(14) 0.43032(16) 0.0448(6) Uani 1 1 d . . . 
H3 H 0.7497 0.1955 0.4354 0.054 Uiso 1 1 calc R . . 
C4 C 0.61850(19) 0.14670(13) 0.34763(16) 0.0412(6) Uani 1 1 d . . . 
N5 N 0.52988(15) 0.10184(11) 0.33339(12) 0.0380(4) Uani 1 1 d . . . 
C6 C 0.51046(17) 0.07489(12) 0.40711(15) 0.0341(5) Uani 1 1 d . . . 
C7 C 0.41291(16) 0.02199(12) 0.39695(14) 0.0332(5) Uani 1 1 d . . . 
C8 C 0.35289(17) 0.05017(12) 0.46189(15) 0.0343(5) Uani 1 1 d . . . 
C9 C 0.41707(17) 0.06829(12) 0.54833(14) 0.0331(5) Uani 1 1 d . . . 
C10 C 0.54103(16) 0.06178(12) 0.57202(14) 0.0334(5) Uani 1 1 d . . . 
H10 H 0.5726 0.0954 0.6228 0.040 Uiso 1 1 calc R . . 
N11 N 0.24280(14) 0.05362(11) 0.43365(12) 0.0370(4) Uani 1 1 d . . . 
C12 C 0.19485(17) 0.07668(13) 0.49491(16) 0.0396(5) Uani 1 1 d . . . 
C13 C 0.25020(19) 0.09643(15) 0.58179(16) 0.0445(6) Uani 1 1 d . . . 
H13 H 0.2120 0.1117 0.6210 0.053 Uiso 1 1 calc R . . 
C14 C 0.36478(18) 0.09302(13) 0.60956(15) 0.0385(5) Uani 1 1 d . . . 
O15 O 0.73007(13) 0.14694(10) 0.59160(11) 0.0476(4) Uani 1 1 d . . . 
C16 C 0.8123(2) 0.20624(16) 0.61436(19) 0.0538(7) Uani 1 1 d . . . 
H16 H 0.8595 0.2026 0.5752 0.065 Uiso 1 1 calc R . . 
C17 C 0.8795(2) 0.18898(19) 0.7091(2) 0.0646(8) Uani 1 1 d . . . 
H17A H 0.8300 0.1818 0.7450 0.078 Uiso 1 1 calc R . . 
H17B H 0.9259 0.2319 0.7331 0.078 Uiso 1 1 calc R . . 
C18 C 0.9520(3) 0.1196(2) 0.7179(2) 0.0793(10) Uani 1 1 d . . . 
H18A H 1.0047 0.1279 0.6852 0.095 Uiso 1 1 calc R . . 
H18B H 0.9063 0.0772 0.6907 0.095 Uiso 1 1 calc R . . 
C19 C 1.0149(4) 0.0999(3) 0.8156(3) 0.1169(16) Uani 1 1 d . . . 
H19A H 1.0727 0.0643 0.8157 0.140 Uiso 1 1 calc R . . 
H19B H 1.0500 0.1451 0.8456 0.140 Uiso 1 1 calc R . . 
C20 C 0.9478(6) 0.0682(4) 0.8665(4) 0.152(2) Uani 1 1 d . . . 
H20A H 0.9937 0.0552 0.9254 0.228 Uiso 1 1 calc R . . 
H20B H 0.9113 0.0240 0.8368 0.228 Uiso 1 1 calc R . . 
H20C H 0.8938 0.1044 0.8711 0.228 Uiso 1 1 calc R . . 
C21 C 0.7562(3) 0.28182(18) 0.6013(2) 0.0727(9) Uani 1 1 d . . . 
H21A H 0.7206 0.2893 0.5378 0.087 Uiso 1 1 calc R . . 
H21B H 0.8121 0.3204 0.6210 0.087 Uiso 1 1 calc R . . 
C22 C 0.6700(4) 0.2926(2) 0.6512(3) 0.1128(15) Uani 1 1 d . . . 
H22A H 0.6296 0.2460 0.6480 0.135 Uiso 1 1 calc R . . 
H22B H 0.7083 0.3022 0.7138 0.135 Uiso 1 1 calc R . . 
C23 C 0.5905(5) 0.3536(4) 0.6174(5) 0.158(2) Uani 1 1 d . . . 
H23A H 0.6305 0.4008 0.6281 0.189 Uiso 1 1 calc R . . 
H23B H 0.5603 0.3477 0.5531 0.189 Uiso 1 1 calc R . . 
C24 C 0.5012(5) 0.3597(4) 0.6536(4) 0.162(3) Uani 1 1 d . . . 
H24A H 0.4571 0.4026 0.6282 0.243 Uiso 1 1 calc R . . 
H24B H 0.5290 0.3655 0.7174 0.243 Uiso 1 1 calc R . . 
H24C H 0.4568 0.3151 0.6397 0.243 Uiso 1 1 calc R . . 
C25 C 0.6408(2) 0.18146(15) 0.26705(17) 0.0486(6) Uani 1 1 d . . . 
O26 O 0.71560(18) 0.22374(16) 0.27272(15) 0.0897(8) Uani 1 1 d . . . 
O27 O 0.56939(16) 0.16197(11) 0.18982(12) 0.0588(5) Uani 1 1 d . . . 
C28 C 0.5859(3) 0.1969(2) 0.11153(19) 0.0709(9) Uani 1 1 d . . . 
H28A H 0.5287 0.1812 0.0592 0.106 Uiso 1 1 calc R . . 
H28B H 0.6562 0.1822 0.1061 0.106 Uiso 1 1 calc R . . 
H28C H 0.5836 0.2506 0.1172 0.106 Uiso 1 1 calc R . . 
C29 C 0.33805(19) 0.01835(15) 0.30075(15) 0.0436(6) Uani 1 1 d . . . 
H29A H 0.2781 -0.0154 0.2973 0.065 Uiso 1 1 calc R . . 
H29B H 0.3793 0.0006 0.2625 0.065 Uiso 1 1 calc R . . 
H29C H 0.3095 0.0675 0.2818 0.065 Uiso 1 1 calc R . . 
C30 C 0.07106(19) 0.08349(15) 0.46495(17) 0.0477(6) Uani 1 1 d . . . 
O31 O 0.02054(15) 0.10750(16) 0.51243(14) 0.0831(8) Uani 1 1 d . . . 
O32 O 0.02543(13) 0.06195(12) 0.38195(13) 0.0593(5) Uani 1 1 d . . . 
C33 C -0.0928(2) 0.0686(2) 0.3489(2) 0.0795(10) Uani 1 1 d . . . 
H33A H -0.1179 0.0525 0.2876 0.119 Uiso 1 1 calc R . . 
H33B H -0.1136 0.1200 0.3528 0.119 Uiso 1 1 calc R . . 
H33C H -0.1256 0.0377 0.3843 0.119 Uiso 1 1 calc R . . 
O34 O 0.43189(13) 0.11355(11) 0.69088(11) 0.0531(5) Uani 1 1 d . . . 
C35 C 0.3883(2) 0.13212(16) 0.76450(16) 0.0497(6) Uani 1 1 d . . . 
H35 H 0.3134 0.1520 0.7397 0.060 Uiso 1 1 calc R . . 
C36 C 0.4617(2) 0.19374(16) 0.81668(18) 0.0545(7) Uani 1 1 d . . . 
H36A H 0.4552 0.2369 0.7775 0.065 Uiso 1 1 calc R . . 
H36B H 0.4338 0.2087 0.8654 0.065 Uiso 1 1 calc R . . 
C37 C 0.5823(2) 0.17535(18) 0.8555(2) 0.0618(8) Uani 1 1 d . . . 
H37A H 0.6110 0.1587 0.8079 0.074 Uiso 1 1 calc R . . 
H37B H 0.5906 0.1344 0.8979 0.074 Uiso 1 1 calc R . . 
C38 C 0.6487(3) 0.24233(18) 0.9024(2) 0.0661(8) Uani 1 1 d . . . 
H38A H 0.6386 0.2833 0.8599 0.079 Uiso 1 1 calc R . . 
H38B H 0.6195 0.2585 0.9500 0.079 Uiso 1 1 calc R . . 
C39 C 0.7698(3) 0.2277(3) 0.9416(3) 0.0984(13) Uani 1 1 d . . . 
H39A H 0.8053 0.2719 0.9721 0.148 Uiso 1 1 calc R . . 
H39B H 0.8007 0.2151 0.8945 0.148 Uiso 1 1 calc R . . 
H39C H 0.7809 0.1867 0.9832 0.148 Uiso 1 1 calc R . . 
C40 C 0.3832(2) 0.06059(17) 0.81447(19) 0.0563(7) Uani 1 1 d . . . 
H40A H 0.4560 0.0382 0.8338 0.068 Uiso 1 1 calc R . . 
H40B H 0.3344 0.0255 0.7739 0.068 Uiso 1 1 calc R . . 
C41 C 0.3428(3) 0.07198(18) 0.8960(2) 0.0645(8) Uani 1 1 d . . . 
H41A H 0.3975 0.1008 0.9404 0.077 Uiso 1 1 calc R . . 
H41B H 0.2755 0.1014 0.8782 0.077 Uiso 1 1 calc R . . 
C42 C 0.3208(3) 0.0002(2) 0.9384(2) 0.0825(10) Uani 1 1 d . . . 
H42A H 0.3874 -0.0299 0.9550 0.099 Uiso 1 1 calc R . . 
H42B H 0.2645 -0.0280 0.8947 0.099 Uiso 1 1 calc R . . 
C43 C 0.2840(4) 0.0128(3) 1.0201(3) 0.1122(16) Uani 1 1 d . . . 
H43A H 0.2732 -0.0348 1.0451 0.168 Uiso 1 1 calc R . . 
H43B H 0.2160 0.0404 1.0036 0.168 Uiso 1 1 calc R . . 
H43C H 0.3392 0.0409 1.0637 0.168 Uiso 1 1 calc R . . 
 
 
_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 C6 1.390(3) . ? 
C1 C2 1.396(3) . ? 
C1 C10 1.509(3) . ? 
C2 O15 1.351(3) . ? 
C2 C3 1.382(3) . ? 
C3 C4 1.374(3) . ? 
C4 N5 1.345(3) . ? 
C4 C25 1.506(3) . ? 
N5 C6 1.339(3) . ? 
C6 C7 1.528(3) . ? 
C7 C29 1.523(3) . ? 
C7 C8 1.527(3) . ? 
C7 C10 1.622(3) 3_656 ? 
C8 N11 1.338(3) . ? 
C8 C9 1.393(3) . ? 
C9 C14 1.391(3) . ? 
C9 C10 1.512(3) . ? 
C10 C7 1.622(3) 3_656 ? 
N11 C12 1.345(3) . ? 
C12 C13 1.376(3) . ? 
C12 C30 1.508(3) . ? 
C13 C14 1.392(3) . ? 
C14 O34 1.353(3) . ? 
O15 C16 1.453(3) . ? 
C16 C17 1.505(4) . ? 
C16 C21 1.507(4) . ? 
C17 C18 1.522(5) . ? 
C18 C19 1.539(5) . ? 
C19 C20 1.445(7) . ? 
C21 C22 1.536(5) . ? 
C22 C23 1.470(7) . ? 
C23 C24 1.417(7) . ? 
C25 O26 1.196(3) . ? 
C25 O27 1.322(3) . ? 
O27 C28 1.444(3) . ? 
C30 O31 1.197(3) . ? 
C30 O32 1.311(3) . ? 
O32 C33 1.441(3) . ? 
O34 C35 1.459(3) . ? 
C35 C40 1.506(4) . ? 
C35 C36 1.512(4) . ? 
C36 C37 1.507(4) . ? 
C37 C38 1.517(4) . ? 
C38 C39 1.501(5) . ? 
C40 C41 1.525(4) . ? 
C41 C42 1.504(4) . ? 
C42 C43 1.505(5) . ? 
 
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 
C6 C1 C2 118.78(19) . . ? 
C6 C1 C10 119.31(18) . . ? 
C2 C1 C10 121.9(2) . . ? 
O15 C2 C3 126.5(2) . . ? 
O15 C2 C1 115.62(19) . . ? 
C3 C2 C1 117.9(2) . . ? 
C4 C3 C2 118.7(2) . . ? 
N5 C4 C3 125.0(2) . . ? 
N5 C4 C25 117.6(2) . . ? 
C3 C4 C25 117.3(2) . . ? 
C6 N5 C4 115.6(2) . . ? 
N5 C6 C1 123.9(2) . . ? 
N5 C6 C7 119.01(19) . . ? 
C1 C6 C7 117.08(18) . . ? 
C29 C7 C8 112.49(17) . . ? 
C29 C7 C6 112.15(18) . . ? 
C8 C7 C6 106.31(17) . . ? 
C29 C7 C10 108.65(18) . 3_656 ? 
C8 C7 C10 108.08(16) . 3_656 ? 
C6 C7 C10 109.02(16) . 3_656 ? 
N11 C8 C9 124.16(19) . . ? 
N11 C8 C7 118.55(19) . . ? 
C9 C8 C7 117.26(18) . . ? 
C14 C9 C8 118.69(19) . . ? 
C14 C9 C10 122.28(19) . . ? 
C8 C9 C10 119.03(18) . . ? 
C1 C10 C9 107.59(17) . . ? 
C1 C10 C7 113.70(17) . 3_656 ? 
C9 C10 C7 113.60(17) . 3_656 ? 
C8 N11 C12 115.59(19) . . ? 
N11 C12 C13 125.1(2) . . ? 
N11 C12 C30 117.2(2) . . ? 
C13 C12 C30 117.7(2) . . ? 
C12 C13 C14 118.4(2) . . ? 
O34 C14 C9 115.84(19) . . ? 
O34 C14 C13 126.0(2) . . ? 
C9 C14 C13 118.1(2) . . ? 
C2 O15 C16 120.41(19) . . ? 
O15 C16 C17 104.4(2) . . ? 
O15 C16 C21 109.8(2) . . ? 
C17 C16 C21 114.9(3) . . ? 
C16 C17 C18 113.9(3) . . ? 
C17 C18 C19 113.4(3) . . ? 
C20 C19 C18 114.8(4) . . ? 
C16 C21 C22 115.1(3) . . ? 
C23 C22 C21 115.5(4) . . ? 
C24 C23 C22 117.5(5) . . ? 
O26 C25 O27 123.1(2) . . ? 
O26 C25 C4 122.8(3) . . ? 
O27 C25 C4 114.1(2) . . ? 
C25 O27 C28 115.3(2) . . ? 
O31 C30 O32 123.9(2) . . ? 
O31 C30 C12 122.7(2) . . ? 
O32 C30 C12 113.3(2) . . ? 
C30 O32 C33 115.9(2) . . ? 
C14 O34 C35 121.46(18) . . ? 
O34 C35 C40 107.7(2) . . ? 
O34 C35 C36 105.7(2) . . ? 
C40 C35 C36 116.6(2) . . ? 
C37 C36 C35 116.8(2) . . ? 
C36 C37 C38 112.1(3) . . ? 
C39 C38 C37 114.6(3) . . ? 
C35 C40 C41 113.6(2) . . ? 
C42 C41 C40 114.2(3) . . ? 
C41 C42 C43 113.2(3) . . ? 
 
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 
C6 C1 C2 O15 -176.2(2) . . . . ? 
C10 C1 C2 O15 4.7(3) . . . . ? 
C6 C1 C2 C3 2.7(3) . . . . ? 
C10 C1 C2 C3 -176.5(2) . . . . ? 
O15 C2 C3 C4 177.9(2) . . . . ? 
C1 C2 C3 C4 -0.8(3) . . . . ? 
C2 C3 C4 N5 -1.2(4) . . . . ? 
C2 C3 C4 C25 177.1(2) . . . . ? 
C3 C4 N5 C6 1.2(3) . . . . ? 
C25 C4 N5 C6 -177.1(2) . . . . ? 
C4 N5 C6 C1 0.9(3) . . . . ? 
C4 N5 C6 C7 -178.6(2) . . . . ? 
C2 C1 C6 N5 -2.8(3) . . . . ? 
C10 C1 C6 N5 176.4(2) . . . . ? 
C2 C1 C6 C7 176.67(19) . . . . ? 
C10 C1 C6 C7 -4.1(3) . . . . ? 
N5 C6 C7 C29 -10.2(3) . . . . ? 
C1 C6 C7 C29 170.30(19) . . . . ? 
N5 C6 C7 C8 -133.5(2) . . . . ? 
C1 C6 C7 C8 47.0(2) . . . . ? 
N5 C6 C7 C10 110.2(2) . . . 3_656 ? 
C1 C6 C7 C10 -69.3(2) . . . 3_656 ? 
C29 C7 C8 N11 13.2(3) . . . . ? 
C6 C7 C8 N11 136.3(2) . . . . ? 
C10 C7 C8 N11 -106.8(2) 3_656 . . . ? 
C29 C7 C8 C9 -168.99(19) . . . . ? 
C6 C7 C8 C9 -45.9(2) . . . . ? 
C10 C7 C8 C9 71.1(2) 3_656 . . . ? 
N11 C8 C9 C14 -1.3(3) . . . . ? 
C7 C8 C9 C14 -179.0(2) . . . . ? 
N11 C8 C9 C10 179.8(2) . . . . ? 
C7 C8 C9 C10 2.1(3) . . . . ? 
C6 C1 C10 C9 -40.2(3) . . . . ? 
C2 C1 C10 C9 139.0(2) . . . . ? 
C6 C1 C10 C7 86.5(2) . . . 3_656 ? 
C2 C1 C10 C7 -94.3(2) . . . 3_656 ? 
C14 C9 C10 C1 -137.7(2) . . . . ? 
C8 C9 C10 C1 41.2(3) . . . . ? 
C14 C9 C10 C7 95.6(2) . . . 3_656 ? 
C8 C9 C10 C7 -85.6(2) . . . 3_656 ? 
C9 C8 N11 C12 0.3(3) . . . . ? 
C7 C8 N11 C12 178.00(19) . . . . ? 
C8 N11 C12 C13 0.2(3) . . . . ? 
C8 N11 C12 C30 178.3(2) . . . . ? 
N11 C12 C13 C14 0.4(4) . . . . ? 
C30 C12 C13 C14 -177.7(2) . . . . ? 
C8 C9 C14 O34 -176.6(2) . . . . ? 
C10 C9 C14 O34 2.3(3) . . . . ? 
C8 C9 C14 C13 1.7(3) . . . . ? 
C10 C9 C14 C13 -179.4(2) . . . . ? 
C12 C13 C14 O34 176.8(2) . . . . ? 
C12 C13 C14 C9 -1.3(3) . . . . ? 
C3 C2 O15 C16 16.5(4) . . . . ? 
C1 C2 O15 C16 -164.8(2) . . . . ? 
C2 O15 C16 C17 -167.8(2) . . . . ? 
C2 O15 C16 C21 68.5(3) . . . . ? 
O15 C16 C17 C18 70.5(3) . . . . ? 
C21 C16 C17 C18 -169.2(3) . . . . ? 
C16 C17 C18 C19 -176.5(3) . . . . ? 
C17 C18 C19 C20 73.2(6) . . . . ? 
O15 C16 C21 C22 54.2(4) . . . . ? 
C17 C16 C21 C22 -63.1(4) . . . . ? 
C16 C21 C22 C23 -160.8(5) . . . . ? 
C21 C22 C23 C24 172.2(6) . . . . ? 
N5 C4 C25 O26 177.9(3) . . . . ? 
C3 C4 C25 O26 -0.6(4) . . . . ? 
N5 C4 C25 O27 -1.1(3) . . . . ? 
C3 C4 C25 O27 -179.5(2) . . . . ? 
O26 C25 O27 C28 -1.5(4) . . . . ? 
C4 C25 O27 C28 177.5(2) . . . . ? 
N11 C12 C30 O31 -175.7(3) . . . . ? 
C13 C12 C30 O31 2.6(4) . . . . ? 
N11 C12 C30 O32 3.1(3) . . . . ? 
C13 C12 C30 O32 -178.6(2) . . . . ? 
O31 C30 O32 C33 0.0(4) . . . . ? 
C12 C30 O32 C33 -178.8(3) . . . . ? 
C9 C14 O34 C35 -172.7(2) . . . . ? 
C13 C14 O34 C35 9.1(4) . . . . ? 
C14 O34 C35 C40 89.2(3) . . . . ? 
C14 O34 C35 C36 -145.4(2) . . . . ? 
O34 C35 C36 C37 -59.6(3) . . . . ? 
C40 C35 C36 C37 60.1(3) . . . . ? 
C35 C36 C37 C38 177.2(2) . . . . ? 
C36 C37 C38 C39 -179.3(3) . . . . ? 
O34 C35 C40 C41 177.8(2) . . . . ? 
C36 C35 C40 C41 59.2(3) . . . . ? 
C35 C40 C41 C42 171.2(3) . . . . ? 
C40 C41 C42 C43 178.5(3) . . . . ? 
 
_diffrn_measured_fraction_theta_max    0.997 
_diffrn_reflns_theta_full              65.10 
_diffrn_measured_fraction_theta_full   0.997 
_refine_diff_density_max    0.476 
_refine_diff_density_min   -0.350 
_refine_diff_density_rms    0.055 
