  
data_cd22120 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C26 H26 O4' 
_chemical_formula_weight          402.47 
  
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            Monoclinic 
_symmetry_space_group_name_H-M    Cc 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 'x, -y, z+1/2' 
 'x+1/2, y+1/2, z' 
 'x+1/2, -y+1/2, z+1/2' 
  
_cell_length_a                    12.2918(14) 
_cell_length_b                    14.5009(17) 
_cell_length_c                    12.6441(15) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  96.671(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      2238.5(5) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     1542 
_cell_measurement_theta_min       5.199 
_cell_measurement_theta_max       41.450 
  
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.194 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              856 
_exptl_absorpt_coefficient_mu     0.080 
_exptl_absorpt_correction_type    sadabs 
_exptl_absorpt_correction_T_min   -0.0195 
_exptl_absorpt_correction_T_max   1.0000 
_exptl_absorpt_process_details    ? 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       293(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   'CCD area detector' 
_diffrn_measurement_method        'phi and omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             5798 
_diffrn_reflns_av_R_equivalents   0.0554 
_diffrn_reflns_av_sigmaI/netI     0.0590 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -14 
_diffrn_reflns_limit_l_max        15 
_diffrn_reflns_theta_min          2.18 
_diffrn_reflns_theta_max          25.49 
_reflns_number_total              3431 
_reflns_number_gt                 2299 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Bruker SMART' 
_computing_cell_refinement        'Bruker SMART' 
_computing_data_reduction         'Bruker SHELXTL' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
  
_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)+(0.1213P)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_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -1(2) 
_refine_ls_number_reflns          3431 
_refine_ls_number_parameters      281 
_refine_ls_number_restraints      5 
_refine_ls_R_factor_all           0.0924 
_refine_ls_R_factor_gt            0.0658 
_refine_ls_wR_factor_ref          0.2129 
_refine_ls_wR_factor_gt           0.1761 
_refine_ls_goodness_of_fit_ref    1.066 
_refine_ls_restrained_S_all       1.076 
_refine_ls_shift/su_max           0.983 
_refine_ls_shift/su_mean          0.042 
  
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 1.0064(4) 0.4025(3) -0.0203(4) 0.1097(16) Uani 1 1 d . . . 
O2 O 0.9031(3) 0.2774(3) -0.0512(3) 0.0758(10) Uani 1 1 d . . . 
O3 O 0.8913(3) 0.0414(3) 0.4347(4) 0.0946(14) Uani 1 1 d . . . 
O4 O 0.9695(3) 0.0020(2) 0.2903(3) 0.0752(11) Uani 1 1 d . . . 
C1 C 0.9153(4) 0.0611(4) 0.3496(5) 0.0716(15) Uani 1 1 d . . . 
C2 C 0.8956(4) 0.1469(3) 0.2877(4) 0.0579(12) Uani 1 1 d . . . 
C3 C 0.9415(4) 0.1402(3) 0.1986(4) 0.0523(11) Uani 1 1 d . . . 
C4 C 0.9924(4) 0.0453(3) 0.1929(4) 0.0606(12) Uani 1 1 d D . . 
C5 C 1.1140(4) 0.0438(3) 0.1845(4) 0.0581(12) Uani 1 1 d . . . 
C6 C 1.1502(4) 0.0343(4) 0.0857(5) 0.0711(14) Uani 1 1 d . . . 
H6 H 1.1003 0.0282 0.0249 0.085 Uiso 1 1 calc R . . 
C7 C 1.2614(5) 0.0339(4) 0.0781(6) 0.0825(17) Uani 1 1 d . . . 
H7 H 1.2850 0.0288 0.0111 0.099 Uiso 1 1 calc R . . 
C8 C 1.3347(5) 0.0405(4) 0.1611(6) 0.0885(19) Uani 1 1 d . . . 
H8 H 1.4089 0.0364 0.1536 0.106 Uiso 1 1 calc R . . 
C9 C 1.3000(5) 0.0538(5) 0.2618(6) 0.093(2) Uani 1 1 d . . . 
H9 H 1.3512 0.0620 0.3212 0.112 Uiso 1 1 calc R . . 
C10 C 1.1892(5) 0.0547(4) 0.2721(5) 0.0797(16) Uani 1 1 d . . . 
H10 H 1.1658 0.0628 0.3388 0.096 Uiso 1 1 calc R . . 
C11 C 0.8279(4) 0.2248(4) 0.3257(5) 0.0733(15) Uani 1 1 d . . . 
H11A H 0.8522 0.2369 0.4002 0.088 Uiso 1 1 calc R . . 
H11B H 0.8404 0.2801 0.2858 0.088 Uiso 1 1 calc R . . 
C12 C 0.7063(5) 0.2041(4) 0.3135(5) 0.0793(16) Uani 1 1 d . . . 
H12A H 0.6919 0.1528 0.3591 0.095 Uiso 1 1 calc R . . 
H12B H 0.6822 0.1870 0.2404 0.095 Uiso 1 1 calc R . . 
C13 C 0.6439(7) 0.2884(6) 0.3435(8) 0.118(3) Uani 1 1 d . . . 
H13A H 0.6697 0.3064 0.4151 0.176 Uiso 1 1 calc R . . 
H13B H 0.5672 0.2742 0.3387 0.176 Uiso 1 1 calc R . . 
H13C H 0.6551 0.3381 0.2957 0.176 Uiso 1 1 calc R . . 
C14 C 0.9739(5) 0.3314(4) 0.0101(5) 0.0787(16) Uani 1 1 d . . . 
C15 C 1.0013(4) 0.2860(3) 0.1154(4) 0.0624(13) Uani 1 1 d . . . 
C16 C 0.9452(4) 0.2087(3) 0.1148(4) 0.0546(12) Uani 1 1 d . . . 
C17 C 0.8756(4) 0.1971(4) 0.0075(4) 0.0645(13) Uani 1 1 d D . . 
C18 C 0.7546(5) 0.1971(3) 0.0150(4) 0.0640(13) Uani 1 1 d . . . 
C19 C 0.6953(5) 0.1150(4) 0.0069(5) 0.0792(16) Uani 1 1 d . . . 
H19 H 0.7294 0.0601 -0.0081 0.095 Uiso 1 1 calc R . . 
C20 C 0.5859(6) 0.1159(4) 0.0214(5) 0.0892(19) Uani 1 1 d . . . 
H20 H 0.5478 0.0604 0.0180 0.107 Uiso 1 1 calc R . . 
C21 C 0.5328(5) 0.1926(5) 0.0400(6) 0.095(2) Uani 1 1 d . . . 
H21 H 0.4590 0.1910 0.0496 0.114 Uiso 1 1 calc R . . 
C22 C 0.5913(5) 0.2770(5) 0.0451(6) 0.095(2) Uani 1 1 d . . . 
H22 H 0.5556 0.3321 0.0562 0.114 Uiso 1 1 calc R . . 
C23 C 0.7002(4) 0.2769(4) 0.0336(5) 0.0708(15) Uani 1 1 d . . . 
H23 H 0.7385 0.3324 0.0386 0.085 Uiso 1 1 calc R . . 
C24 C 1.0780(6) 0.3273(5) 0.2007(7) 0.106(2) Uani 1 1 d . . . 
H24A H 1.0797 0.2899 0.2644 0.128 Uiso 1 1 calc R . . 
H24B H 1.0524 0.3883 0.2171 0.128 Uiso 1 1 calc R . . 
C25 C 1.1943(15) 0.334(2) 0.1679(13) 0.306(15) Uani 1 1 d D . . 
H25A H 1.1980 0.2799 0.1241 0.367 Uiso 1 1 calc R . . 
H25B H 1.1867 0.3853 0.1177 0.367 Uiso 1 1 calc R . . 
C26 C 1.3096(18) 0.345(2) 0.216(3) 0.42(3) Uani 1 1 d D . . 
H26A H 1.3123 0.3484 0.2917 0.633 Uiso 1 1 calc R . . 
H26B H 1.3401 0.3998 0.1891 0.633 Uiso 1 1 calc R . . 
H26C H 1.3512 0.2922 0.1970 0.633 Uiso 1 1 calc R . . 
H4 H 0.953(3) 0.021(3) 0.125(2) 0.049(12) Uiso 1 1 d D . . 
H17 H 0.895(3) 0.142(2) -0.034(3) 0.042(10) Uiso 1 1 d 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 
O1 C14 1.186(6) . ? 
O2 C14 1.347(8) . ? 
O2 C17 1.442(6) . ? 
O3 C1 1.184(7) . ? 
O4 C1 1.363(7) . ? 
O4 C4 1.439(6) . ? 
C1 C2 1.475(7) . ? 
C2 C3 1.320(6) . ? 
C2 C11 1.514(7) . ? 
C3 C16 1.458(6) . ? 
C3 C4 1.516(7) . ? 
C4 C5 1.510(7) . ? 
C4 H4 1.000(19) . ? 
C5 C10 1.367(8) . ? 
C5 C6 1.381(7) . ? 
C6 C7 1.381(8) . ? 
C6 H6 0.9300 . ? 
C7 C8 1.305(9) . ? 
C7 H7 0.9300 . ? 
C8 C9 1.402(9) . ? 
C8 H8 0.9300 . ? 
C9 C10 1.384(9) . ? 
C9 H9 0.9300 . ? 
C10 H10 0.9300 . ? 
C11 C12 1.514(8) . ? 
C11 H11A 0.9700 . ? 
C11 H11B 0.9700 . ? 
C12 C13 1.515(9) . ? 
C12 H12A 0.9700 . ? 
C12 H12B 0.9700 . ? 
C13 H13A 0.9600 . ? 
C13 H13B 0.9600 . ? 
C13 H13C 0.9600 . ? 
C14 C15 1.488(8) . ? 
C15 C16 1.315(6) . ? 
C15 C24 1.475(9) . ? 
C16 C17 1.527(7) . ? 
C17 C18 1.501(8) . ? 
C17 H17 0.995(19) . ? 
C18 C23 1.371(7) . ? 
C18 C19 1.392(7) . ? 
C19 C20 1.379(9) . ? 
C19 H19 0.9300 . ? 
C20 C21 1.324(9) . ? 
C20 H20 0.9300 . ? 
C21 C22 1.418(9) . ? 
C21 H21 0.9300 . ? 
C22 C23 1.363(8) . ? 
C22 H22 0.9300 . ? 
C23 H23 0.9300 . ? 
C24 C25 1.54(2) . ? 
C24 H24A 0.9700 . ? 
C24 H24B 0.9700 . ? 
C25 C26 1.483(19) . ? 
C25 H25A 0.9700 . ? 
C25 H25B 0.9700 . ? 
C26 H26A 0.9761 . ? 
C26 H26B 0.9757 . ? 
C26 H26C 0.9760 . ? 
  
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 
C14 O2 C17 110.3(4) . . ? 
C1 O4 C4 110.7(4) . . ? 
O3 C1 O4 122.6(5) . . ? 
O3 C1 C2 130.0(6) . . ? 
O4 C1 C2 107.4(5) . . ? 
C3 C2 C1 109.3(4) . . ? 
C3 C2 C11 129.2(4) . . ? 
C1 C2 C11 121.5(5) . . ? 
C2 C3 C16 128.5(4) . . ? 
C2 C3 C4 109.1(4) . . ? 
C16 C3 C4 122.4(4) . . ? 
O4 C4 C5 110.3(4) . . ? 
O4 C4 C3 103.4(4) . . ? 
C5 C4 C3 115.7(4) . . ? 
O4 C4 H4 117(2) . . ? 
C5 C4 H4 109(2) . . ? 
C3 C4 H4 102(3) . . ? 
C10 C5 C6 119.1(5) . . ? 
C10 C5 C4 121.5(5) . . ? 
C6 C5 C4 119.4(5) . . ? 
C5 C6 C7 119.2(6) . . ? 
C5 C6 H6 120.4 . . ? 
C7 C6 H6 120.4 . . ? 
C8 C7 C6 122.8(6) . . ? 
C8 C7 H7 118.6 . . ? 
C6 C7 H7 118.6 . . ? 
C7 C8 C9 119.0(5) . . ? 
C7 C8 H8 120.5 . . ? 
C9 C8 H8 120.5 . . ? 
C10 C9 C8 119.6(6) . . ? 
C10 C9 H9 120.2 . . ? 
C8 C9 H9 120.2 . . ? 
C5 C10 C9 120.2(6) . . ? 
C5 C10 H10 119.9 . . ? 
C9 C10 H10 119.9 . . ? 
C12 C11 C2 113.1(4) . . ? 
C12 C11 H11A 109.0 . . ? 
C2 C11 H11A 109.0 . . ? 
C12 C11 H11B 108.9 . . ? 
C2 C11 H11B 108.9 . . ? 
H11A C11 H11B 107.8 . . ? 
C11 C12 C13 109.7(6) . . ? 
C11 C12 H12A 109.7 . . ? 
C13 C12 H12A 109.7 . . ? 
C11 C12 H12B 109.7 . . ? 
C13 C12 H12B 109.7 . . ? 
H12A C12 H12B 108.2 . . ? 
C12 C13 H13A 109.5 . . ? 
C12 C13 H13B 109.4 . . ? 
H13A C13 H13B 109.5 . . ? 
C12 C13 H13C 109.5 . . ? 
H13A C13 H13C 109.5 . . ? 
H13B C13 H13C 109.5 . . ? 
O1 C14 O2 122.6(6) . . ? 
O1 C14 C15 128.7(6) . . ? 
O2 C14 C15 108.8(4) . . ? 
C16 C15 C24 129.8(5) . . ? 
C16 C15 C14 108.0(5) . . ? 
C24 C15 C14 122.2(5) . . ? 
C15 C16 C3 129.6(5) . . ? 
C15 C16 C17 109.8(4) . . ? 
C3 C16 C17 120.6(4) . . ? 
O2 C17 C18 109.0(4) . . ? 
O2 C17 C16 103.2(4) . . ? 
C18 C17 C16 113.7(4) . . ? 
O2 C17 H17 107(2) . . ? 
C18 C17 H17 109(2) . . ? 
C16 C17 H17 114(2) . . ? 
C23 C18 C19 118.2(5) . . ? 
C23 C18 C17 121.1(5) . . ? 
C19 C18 C17 120.6(5) . . ? 
C20 C19 C18 119.5(5) . . ? 
C20 C19 H19 120.3 . . ? 
C18 C19 H19 120.2 . . ? 
C21 C20 C19 122.6(6) . . ? 
C21 C20 H20 118.7 . . ? 
C19 C20 H20 118.7 . . ? 
C20 C21 C22 118.4(6) . . ? 
C20 C21 H21 120.8 . . ? 
C22 C21 H21 120.8 . . ? 
C23 C22 C21 119.5(6) . . ? 
C23 C22 H22 120.2 . . ? 
C21 C22 H22 120.2 . . ? 
C22 C23 C18 121.6(5) . . ? 
C22 C23 H23 119.2 . . ? 
C18 C23 H23 119.2 . . ? 
C15 C24 C25 111.5(10) . . ? 
C15 C24 H24A 109.3 . . ? 
C25 C24 H24A 109.3 . . ? 
C15 C24 H24B 109.3 . . ? 
C25 C24 H24B 109.3 . . ? 
H24A C24 H24B 108.0 . . ? 
C26 C25 C24 140.5(19) . . ? 
C26 C25 H25A 101.9 . . ? 
C24 C25 H25A 101.8 . . ? 
C26 C25 H25B 102.0 . . ? 
C24 C25 H25B 101.9 . . ? 
H25A C25 H25B 104.7 . . ? 
C25 C26 H26A 111.2 . . ? 
C25 C26 H26B 110.9 . . ? 
H26A C26 H26B 107.8 . . ? 
C25 C26 H26C 111.1 . . ? 
H26A C26 H26C 107.8 . . ? 
H26B C26 H26C 107.8 . . ? 
  
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 
C4 O4 C1 O3 -177.3(5) . . . . ? 
C4 O4 C1 C2 2.8(6) . . . . ? 
O3 C1 C2 C3 177.0(6) . . . . ? 
O4 C1 C2 C3 -3.2(6) . . . . ? 
O3 C1 C2 C11 -5.5(9) . . . . ? 
O4 C1 C2 C11 174.4(4) . . . . ? 
C1 C2 C3 C16 -178.4(5) . . . . ? 
C11 C2 C3 C16 4.3(8) . . . . ? 
C1 C2 C3 C4 2.2(5) . . . . ? 
C11 C2 C3 C4 -175.1(5) . . . . ? 
C1 O4 C4 C5 122.9(4) . . . . ? 
C1 O4 C4 C3 -1.5(5) . . . . ? 
C2 C3 C4 O4 -0.6(5) . . . . ? 
C16 C3 C4 O4 180.0(4) . . . . ? 
C2 C3 C4 C5 -121.3(5) . . . . ? 
C16 C3 C4 C5 59.3(6) . . . . ? 
O4 C4 C5 C10 -36.4(6) . . . . ? 
C3 C4 C5 C10 80.5(6) . . . . ? 
O4 C4 C5 C6 145.8(4) . . . . ? 
C3 C4 C5 C6 -97.3(5) . . . . ? 
C10 C5 C6 C7 1.5(7) . . . . ? 
C4 C5 C6 C7 179.3(5) . . . . ? 
C5 C6 C7 C8 1.3(9) . . . . ? 
C6 C7 C8 C9 -3.8(10) . . . . ? 
C7 C8 C9 C10 3.5(11) . . . . ? 
C6 C5 C10 C9 -1.6(8) . . . . ? 
C4 C5 C10 C9 -179.4(6) . . . . ? 
C8 C9 C10 C5 -0.8(10) . . . . ? 
C3 C2 C11 C12 103.3(6) . . . . ? 
C1 C2 C11 C12 -73.8(6) . . . . ? 
C2 C11 C12 C13 -174.7(5) . . . . ? 
C17 O2 C14 O1 -178.2(5) . . . . ? 
C17 O2 C14 C15 2.2(6) . . . . ? 
O1 C14 C15 C16 179.1(6) . . . . ? 
O2 C14 C15 C16 -1.3(6) . . . . ? 
O1 C14 C15 C24 -0.2(10) . . . . ? 
O2 C14 C15 C24 179.4(5) . . . . ? 
C24 C15 C16 C3 0.2(9) . . . . ? 
C14 C15 C16 C3 -178.9(5) . . . . ? 
C24 C15 C16 C17 179.1(6) . . . . ? 
C14 C15 C16 C17 -0.1(5) . . . . ? 
C2 C3 C16 C15 71.6(7) . . . . ? 
C4 C3 C16 C15 -109.1(6) . . . . ? 
C2 C3 C16 C17 -107.2(6) . . . . ? 
C4 C3 C16 C17 72.2(6) . . . . ? 
C14 O2 C17 C18 119.0(5) . . . . ? 
C14 O2 C17 C16 -2.1(5) . . . . ? 
C15 C16 C17 O2 1.3(5) . . . . ? 
C3 C16 C17 O2 -179.7(4) . . . . ? 
C15 C16 C17 C18 -116.6(5) . . . . ? 
C3 C16 C17 C18 62.4(6) . . . . ? 
O2 C17 C18 C23 -40.7(6) . . . . ? 
C16 C17 C18 C23 73.8(6) . . . . ? 
O2 C17 C18 C19 141.6(5) . . . . ? 
C16 C17 C18 C19 -103.9(5) . . . . ? 
C23 C18 C19 C20 -2.2(8) . . . . ? 
C17 C18 C19 C20 175.5(5) . . . . ? 
C18 C19 C20 C21 1.9(10) . . . . ? 
C19 C20 C21 C22 0.1(11) . . . . ? 
C20 C21 C22 C23 -1.7(11) . . . . ? 
C21 C22 C23 C18 1.4(10) . . . . ? 
C19 C18 C23 C22 0.6(8) . . . . ? 
C17 C18 C23 C22 -177.1(6) . . . . ? 
C16 C15 C24 C25 117.0(12) . . . . ? 
C14 C15 C24 C25 -63.9(12) . . . . ? 
C15 C24 C25 C26 -160(3) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.994 
_diffrn_reflns_theta_full              25.49 
_diffrn_measured_fraction_theta_full   0.994 
_refine_diff_density_max    0.352 
_refine_diff_density_min   -0.278 
_refine_diff_density_rms    0.051 
  
