 
data_1 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C49 H28 O' 
_chemical_formula_weight          632.71 
 
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' 
 
_symmetry_cell_setting            ? 
_symmetry_space_group_name_H-M    ? 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
 
_cell_length_a                    15.5472(13) 
_cell_length_b                    12.2242(10) 
_cell_length_c                    17.3652(15) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  94.315(4) 
_cell_angle_gamma                 90.00 
_cell_volume                      3290.9(5) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.21 
_exptl_crystal_size_mid           0.19 
_exptl_crystal_size_min           0.08 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.277 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1320 
_exptl_absorpt_coefficient_mu     0.075 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   0.9845 
_exptl_absorpt_correction_T_max   0.9941 
_exptl_absorpt_process_details    ? 
 
_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_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             13427 
_diffrn_reflns_av_R_equivalents   0.1216 
_diffrn_reflns_av_sigmaI/netI     0.1230 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        17 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          3.09 
_diffrn_reflns_theta_max          23.00 
_reflns_number_total              4312 
_reflns_number_gt                 2442 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)' 
_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)+(0.1600P)²+0.0000P] 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      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4312 
_refine_ls_number_parameters      451 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.2057 
_refine_ls_R_factor_gt            0.1173 
_refine_ls_wR_factor_ref          0.3170 
_refine_ls_wR_factor_gt           0.2772 
_refine_ls_goodness_of_fit_ref    1.158 
_refine_ls_restrained_S_all       1.158 
_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 
C1 C 0.7743(4) 0.1024(6) -0.0594(4) 0.0331(18) Uani 1 1 d . . . 
C2 C 0.6816(4) 0.1366(6) -0.0457(4) 0.0328(17) Uani 1 1 d . . . 
C3 C 0.6363(5) 0.1685(5) -0.1148(4) 0.0337(18) Uani 1 1 d . . . 
C4 C 0.5517(5) 0.2011(6) -0.1157(4) 0.044(2) Uani 1 1 d . . . 
H4 H 0.5203 0.2198 -0.1629 0.053 Uiso 1 1 calc R . . 
C5 C 0.5128(5) 0.2063(6) -0.0463(4) 0.044(2) Uani 1 1 d . . . 
H5 H 0.4548 0.2307 -0.0462 0.053 Uiso 1 1 calc R . . 
C6 C 0.5578(5) 0.1759(6) 0.0241(4) 0.0377(19) Uani 1 1 d . . . 
C7 C 0.6427(5) 0.1409(6) 0.0227(4) 0.0388(19) Uani 1 1 d . . . 
H7 H 0.6740 0.1198 0.0694 0.047 Uiso 1 1 calc R . . 
C8 C 0.7739(4) 0.1177(6) -0.1470(4) 0.0358(18) Uani 1 1 d . . . 
C9 C 0.6947(5) 0.1546(6) -0.1784(4) 0.0385(19) Uani 1 1 d . . . 
C10 C 0.6783(5) 0.1755(6) -0.2574(4) 0.046(2) Uani 1 1 d . . . 
H10 H 0.6232 0.1990 -0.2784 0.056 Uiso 1 1 calc R . . 
C11 C 0.7468(6) 0.1599(6) -0.3039(5) 0.050(2) Uani 1 1 d . . . 
H11 H 0.7380 0.1729 -0.3579 0.061 Uiso 1 1 calc R . . 
C12 C 0.8275(6) 0.1261(7) -0.2732(4) 0.052(2) Uani 1 1 d . . . 
H12 H 0.8734 0.1189 -0.3060 0.062 Uiso 1 1 calc R . . 
C13 C 0.8420(5) 0.1025(6) -0.1943(4) 0.045(2) Uani 1 1 d . . . 
H13 H 0.8966 0.0768 -0.1734 0.054 Uiso 1 1 calc R . . 
C14 C 0.9019(5) 0.1382(6) 0.0365(4) 0.0357(18) Uani 1 1 d . . . 
C15 C 0.8408(4) 0.1756(6) -0.0163(4) 0.0325(17) Uani 1 1 d . . . 
C16 C 0.8392(5) 0.2917(6) -0.0311(4) 0.0413(19) Uani 1 1 d . . . 
H16 H 0.7967 0.3211 -0.0675 0.050 Uiso 1 1 calc R . . 
C17 C 0.8980(5) 0.3601(6) 0.0062(4) 0.042(2) Uani 1 1 d . . . 
H17 H 0.8960 0.4363 -0.0047 0.051 Uiso 1 1 calc R . . 
C18 C 1.0244(5) 0.3860(7) 0.1021(5) 0.051(2) Uani 1 1 d . . . 
H18 H 1.0239 0.4625 0.0924 0.061 Uiso 1 1 calc R . . 
C19 C 1.0842(5) 0.3456(8) 0.1539(5) 0.056(2) Uani 1 1 d . . . 
H19 H 1.1246 0.3934 0.1803 0.067 Uiso 1 1 calc R . . 
C20 C 1.0876(5) 0.2332(8) 0.1696(4) 0.051(2) Uani 1 1 d . . . 
H20 H 1.1308 0.2047 0.2056 0.061 Uiso 1 1 calc R . . 
C21 C 1.0282(5) 0.1646(7) 0.1326(4) 0.045(2) Uani 1 1 d . . . 
H21 H 1.0299 0.0887 0.1444 0.054 Uiso 1 1 calc R . . 
C22 C 0.9645(4) 0.2043(6) 0.0771(4) 0.0373(18) Uani 1 1 d . . . 
C23 C 0.9617(5) 0.3192(6) 0.0609(4) 0.0391(19) Uani 1 1 d . . . 
C24 C 0.8532(4) -0.0463(6) 0.0185(4) 0.0319(17) Uani 1 1 d . . . 
C25 C 0.7902(4) -0.0165(5) -0.0357(4) 0.0320(17) Uani 1 1 d . . . 
C26 C 0.7357(5) -0.0989(6) -0.0693(4) 0.0407(19) Uani 1 1 d . . . 
H26 H 0.6918 -0.0801 -0.1080 0.049 Uiso 1 1 calc R . . 
C27 C 0.7458(5) -0.2065(7) -0.0462(4) 0.044(2) Uani 1 1 d . . . 
H27 H 0.7083 -0.2609 -0.0689 0.053 Uiso 1 1 calc R . . 
C28 C 0.8200(5) -0.3467(6) 0.0377(5) 0.048(2) Uani 1 1 d . . . 
H28 H 0.7838 -0.4027 0.0154 0.058 Uiso 1 1 calc R . . 
C29 C 0.8809(6) -0.3712(7) 0.0961(5) 0.054(2) Uani 1 1 d . . . 
H29 H 0.8857 -0.4442 0.1146 0.064 Uiso 1 1 calc R . . 
C30 C 0.9362(5) -0.2908(7) 0.1290(4) 0.051(2) Uani 1 1 d . . . 
H30 H 0.9785 -0.3095 0.1692 0.061 Uiso 1 1 calc R . . 
C31 C 0.9293(5) -0.1851(6) 0.1033(4) 0.0424(19) Uani 1 1 d . . . 
H31 H 0.9678 -0.1309 0.1249 0.051 Uiso 1 1 calc R . . 
C32 C 0.8656(4) -0.1564(6) 0.0451(4) 0.0348(18) Uani 1 1 d . . . 
C33 C 0.8106(5) -0.2368(6) 0.0102(4) 0.0397(19) Uani 1 1 d . . . 
C34 C 0.5122(4) 0.1769(6) 0.0970(4) 0.0365(18) Uani 1 1 d . . . 
C35 C 0.5124(5) 0.0809(6) 0.1404(4) 0.044(2) Uani 1 1 d . . . 
H35 H 0.5453 0.0200 0.1257 0.053 Uiso 1 1 calc R . . 
C36 C 0.4652(5) 0.0736(6) 0.2045(4) 0.043(2) Uani 1 1 d . . . 
H36 H 0.4658 0.0071 0.2328 0.052 Uiso 1 1 calc R . . 
C37 C 0.3645(6) 0.1541(8) 0.2937(5) 0.055(2) Uani 1 1 d . . . 
H37 H 0.3626 0.0876 0.3219 0.066 Uiso 1 1 calc R . . 
C38 C 0.3182(6) 0.2408(8) 0.3150(5) 0.059(3) Uani 1 1 d . . . 
H38 H 0.2837 0.2334 0.3575 0.071 Uiso 1 1 calc R . . 
C39 C 0.2708(5) 0.4351(8) 0.2968(5) 0.059(3) Uani 1 1 d . . . 
H39 H 0.2366 0.4297 0.3398 0.071 Uiso 1 1 calc R . . 
C40 C 0.2720(6) 0.5318(8) 0.2568(5) 0.059(2) Uani 1 1 d . . . 
H40 H 0.2389 0.5921 0.2723 0.070 Uiso 1 1 calc R . . 
C41 C 0.3213(5) 0.5419(7) 0.1940(5) 0.053(2) Uani 1 1 d . . . 
H41 H 0.3219 0.6094 0.1670 0.064 Uiso 1 1 calc R . . 
C42 C 0.4244(5) 0.4604(7) 0.1060(4) 0.048(2) Uani 1 1 d . . . 
H42 H 0.4271 0.5279 0.0792 0.058 Uiso 1 1 calc R . . 
C43 C 0.4706(5) 0.3757(6) 0.0835(4) 0.045(2) Uani 1 1 d . . . 
H43 H 0.5060 0.3850 0.0417 0.054 Uiso 1 1 calc R . . 
C44 C 0.4171(5) 0.1609(7) 0.2284(4) 0.045(2) Uani 1 1 d . . . 
C45 C 0.4194(5) 0.2607(6) 0.1878(4) 0.0392(19) Uani 1 1 d . . . 
C46 C 0.4683(5) 0.2693(6) 0.1213(4) 0.0388(19) Uani 1 1 d . . . 
C47 C 0.3192(5) 0.3433(7) 0.2757(5) 0.048(2) Uani 1 1 d . . . 
C48 C 0.3706(5) 0.3529(6) 0.2109(4) 0.042(2) Uani 1 1 d . . . 
C49 C 0.3712(5) 0.4525(6) 0.1693(4) 0.044(2) Uani 1 1 d . . . 
O1 O 0.9105(3) 0.0278(4) 0.0558(3) 0.0385(13) Uani 1 1 d . . . 
 
 
_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 C15 1.520(10) . ? 
C1 C25 1.526(9) . ? 
C1 C8 1.532(9) . ? 
C1 C2 1.538(9) . ? 
C2 C7 1.373(9) . ? 
C2 C3 1.400(10) . ? 
C3 C4 1.373(10) . ? 
C3 C9 1.492(9) . ? 
C4 C5 1.389(10) . ? 
C4 H4 0.9500 . ? 
C5 C6 1.412(10) . ? 
C5 H5 0.9500 . ? 
C6 C7 1.389(10) . ? 
C6 C34 1.498(9) . ? 
C7 H7 0.9500 . ? 
C8 C9 1.385(10) . ? 
C8 C13 1.400(10) . ? 
C9 C10 1.400(10) . ? 
C10 C11 1.397(10) . ? 
C10 H10 0.9500 . ? 
C11 C12 1.389(11) . ? 
C11 H11 0.9500 . ? 
C12 C13 1.402(11) . ? 
C12 H12 0.9500 . ? 
C13 H13 0.9500 . ? 
C14 C15 1.350(10) . ? 
C14 O1 1.395(8) . ? 
C14 C22 1.411(10) . ? 
C15 C16 1.442(10) . ? 
C16 C17 1.366(11) . ? 
C16 H16 0.9500 . ? 
C17 C23 1.412(11) . ? 
C17 H17 0.9500 . ? 
C18 C19 1.339(12) . ? 
C18 C23 1.423(11) . ? 
C18 H18 0.9500 . ? 
C19 C20 1.400(12) . ? 
C19 H19 0.9500 . ? 
C20 C21 1.371(11) . ? 
C20 H20 0.9500 . ? 
C21 C22 1.415(11) . ? 
C21 H21 0.9500 . ? 
C22 C23 1.432(10) . ? 
C24 C25 1.356(9) . ? 
C24 O1 1.395(8) . ? 
C24 C32 1.432(9) . ? 
C25 C26 1.414(10) . ? 
C26 C27 1.381(10) . ? 
C26 H26 0.9500 . ? 
C27 C33 1.401(10) . ? 
C27 H27 0.9500 . ? 
C28 C29 1.368(12) . ? 
C28 C33 1.429(10) . ? 
C28 H28 0.9500 . ? 
C29 C30 1.401(12) . ? 
C29 H29 0.9500 . ? 
C30 C31 1.369(10) . ? 
C30 H30 0.9500 . ? 
C31 C32 1.405(10) . ? 
C31 H31 0.9500 . ? 
C32 C33 1.409(10) . ? 
C34 C35 1.394(10) . ? 
C34 C46 1.401(10) . ? 
C35 C36 1.382(10) . ? 
C35 H35 0.9500 . ? 
C36 C44 1.385(11) . ? 
C36 H36 0.9500 . ? 
C37 C38 1.349(12) . ? 
C37 C44 1.449(10) . ? 
C37 H37 0.9500 . ? 
C38 C47 1.426(11) . ? 
C38 H38 0.9500 . ? 
C39 C40 1.372(12) . ? 
C39 C47 1.416(11) . ? 
C39 H39 0.9500 . ? 
C40 C41 1.385(11) . ? 
C40 H40 0.9500 . ? 
C41 C49 1.424(10) . ? 
C41 H41 0.9500 . ? 
C42 C43 1.335(10) . ? 
C42 C49 1.429(10) . ? 
C42 H42 0.9500 . ? 
C43 C46 1.458(10) . ? 
C43 H43 0.9500 . ? 
C44 C45 1.411(11) . ? 
C45 C48 1.433(10) . ? 
C45 C46 1.433(9) . ? 
C47 C48 1.433(10) . ? 
C48 C49 1.416(10) . ? 
 
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 
C15 C1 C25 109.8(6) . . ? 
C15 C1 C8 111.6(6) . . ? 
C25 C1 C8 111.9(5) . . ? 
C15 C1 C2 112.0(5) . . ? 
C25 C1 C2 110.6(6) . . ? 
C8 C1 C2 100.7(5) . . ? 
C7 C2 C3 120.3(6) . . ? 
C7 C2 C1 128.6(6) . . ? 
C3 C2 C1 111.1(6) . . ? 
C4 C3 C2 120.7(6) . . ? 
C4 C3 C9 131.3(7) . . ? 
C2 C3 C9 107.9(6) . . ? 
C3 C4 C5 118.8(7) . . ? 
C3 C4 H4 120.6 . . ? 
C5 C4 H4 120.6 . . ? 
C4 C5 C6 121.3(7) . . ? 
C4 C5 H5 119.4 . . ? 
C6 C5 H5 119.4 . . ? 
C7 C6 C5 118.4(6) . . ? 
C7 C6 C34 121.9(7) . . ? 
C5 C6 C34 119.6(6) . . ? 
C2 C7 C6 120.5(7) . . ? 
C2 C7 H7 119.8 . . ? 
C6 C7 H7 119.8 . . ? 
C9 C8 C13 120.1(7) . . ? 
C9 C8 C1 111.6(6) . . ? 
C13 C8 C1 128.2(6) . . ? 
C8 C9 C10 122.4(7) . . ? 
C8 C9 C3 108.6(6) . . ? 
C10 C9 C3 129.0(7) . . ? 
C11 C10 C9 116.8(8) . . ? 
C11 C10 H10 121.6 . . ? 
C9 C10 H10 121.6 . . ? 
C12 C11 C10 121.6(7) . . ? 
C12 C11 H11 119.2 . . ? 
C10 C11 H11 119.2 . . ? 
C11 C12 C13 120.7(7) . . ? 
C11 C12 H12 119.6 . . ? 
C13 C12 H12 119.6 . . ? 
C8 C13 C12 118.2(7) . . ? 
C8 C13 H13 120.9 . . ? 
C12 C13 H13 120.9 . . ? 
C15 C14 O1 122.7(6) . . ? 
C15 C14 C22 124.7(7) . . ? 
O1 C14 C22 112.6(6) . . ? 
C14 C15 C16 117.1(7) . . ? 
C14 C15 C1 123.5(6) . . ? 
C16 C15 C1 119.4(7) . . ? 
C17 C16 C15 121.1(7) . . ? 
C17 C16 H16 119.5 . . ? 
C15 C16 H16 119.5 . . ? 
C16 C17 C23 120.8(7) . . ? 
C16 C17 H17 119.6 . . ? 
C23 C17 H17 119.6 . . ? 
C19 C18 C23 122.8(8) . . ? 
C19 C18 H18 118.6 . . ? 
C23 C18 H18 118.6 . . ? 
C18 C19 C20 120.4(8) . . ? 
C18 C19 H19 119.8 . . ? 
C20 C19 H19 119.8 . . ? 
C21 C20 C19 119.7(8) . . ? 
C21 C20 H20 120.1 . . ? 
C19 C20 H20 120.1 . . ? 
C20 C21 C22 121.4(8) . . ? 
C20 C21 H21 119.3 . . ? 
C22 C21 H21 119.3 . . ? 
C14 C22 C21 124.4(7) . . ? 
C14 C22 C23 117.0(7) . . ? 
C21 C22 C23 118.6(7) . . ? 
C17 C23 C18 123.6(7) . . ? 
C17 C23 C22 119.3(7) . . ? 
C18 C23 C22 117.1(8) . . ? 
C25 C24 O1 123.4(6) . . ? 
C25 C24 C32 123.3(6) . . ? 
O1 C24 C32 113.3(6) . . ? 
C24 C25 C26 118.3(7) . . ? 
C24 C25 C1 122.5(6) . . ? 
C26 C25 C1 119.2(6) . . ? 
C27 C26 C25 120.5(7) . . ? 
C27 C26 H26 119.8 . . ? 
C25 C26 H26 119.8 . . ? 
C26 C27 C33 121.0(7) . . ? 
C26 C27 H27 119.5 . . ? 
C33 C27 H27 119.5 . . ? 
C29 C28 C33 120.1(8) . . ? 
C29 C28 H28 119.9 . . ? 
C33 C28 H28 119.9 . . ? 
C28 C29 C30 121.2(8) . . ? 
C28 C29 H29 119.4 . . ? 
C30 C29 H29 119.4 . . ? 
C31 C30 C29 119.9(8) . . ? 
C31 C30 H30 120.0 . . ? 
C29 C30 H30 120.0 . . ? 
C30 C31 C32 120.3(8) . . ? 
C30 C31 H31 119.9 . . ? 
C32 C31 H31 119.9 . . ? 
C31 C32 C33 120.6(7) . . ? 
C31 C32 C24 122.5(7) . . ? 
C33 C32 C24 117.0(7) . . ? 
C27 C33 C32 119.9(7) . . ? 
C27 C33 C28 122.1(7) . . ? 
C32 C33 C28 117.9(7) . . ? 
C35 C34 C46 119.8(7) . . ? 
C35 C34 C6 117.9(7) . . ? 
C46 C34 C6 122.3(7) . . ? 
C36 C35 C34 120.7(7) . . ? 
C36 C35 H35 119.7 . . ? 
C34 C35 H35 119.7 . . ? 
C35 C36 C44 121.5(7) . . ? 
C35 C36 H36 119.2 . . ? 
C44 C36 H36 119.2 . . ? 
C38 C37 C44 120.9(8) . . ? 
C38 C37 H37 119.5 . . ? 
C44 C37 H37 119.5 . . ? 
C37 C38 C47 122.3(8) . . ? 
C37 C38 H38 118.9 . . ? 
C47 C38 H38 118.9 . . ? 
C40 C39 C47 121.6(8) . . ? 
C40 C39 H39 119.2 . . ? 
C47 C39 H39 119.2 . . ? 
C39 C40 C41 120.4(8) . . ? 
C39 C40 H40 119.8 . . ? 
C41 C40 H40 119.8 . . ? 
C40 C41 C49 120.9(8) . . ? 
C40 C41 H41 119.5 . . ? 
C49 C41 H41 119.5 . . ? 
C43 C42 C49 121.9(8) . . ? 
C43 C42 H42 119.1 . . ? 
C49 C42 H42 119.1 . . ? 
C42 C43 C46 121.9(7) . . ? 
C42 C43 H43 119.1 . . ? 
C46 C43 H43 119.1 . . ? 
C36 C44 C45 118.8(7) . . ? 
C36 C44 C37 122.7(8) . . ? 
C45 C44 C37 118.5(8) . . ? 
C44 C45 C48 120.4(7) . . ? 
C44 C45 C46 120.1(7) . . ? 
C48 C45 C46 119.5(7) . . ? 
C34 C46 C45 118.9(7) . . ? 
C34 C46 C43 123.7(6) . . ? 
C45 C46 C43 117.4(7) . . ? 
C39 C47 C38 123.2(8) . . ? 
C39 C47 C48 118.5(8) . . ? 
C38 C47 C48 118.3(7) . . ? 
C49 C48 C45 120.6(7) . . ? 
C49 C48 C47 119.8(7) . . ? 
C45 C48 C47 119.6(7) . . ? 
C48 C49 C41 118.8(7) . . ? 
C48 C49 C42 118.5(7) . . ? 
C41 C49 C42 122.6(7) . . ? 
C14 O1 C24 118.1(6) . . ? 
 
_diffrn_measured_fraction_theta_max    0.941 
_diffrn_reflns_theta_full              23.00 
_diffrn_measured_fraction_theta_full   0.941 
_refine_diff_density_max    0.325 
_refine_diff_density_min   -0.313 
_refine_diff_density_rms    0.078 
