#------------------------------------------------------------------------------
#$Date: 2019-11-10 19:00:09 +0200 (Sun, 10 Nov 2019) $
#$Revision: 225975 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/58/4515883.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4515883
loop_
_publ_author_name
'Nomura, Eisaku'
'Noda, Takumi'
'Gomi, Daiki'
'Mori, Hajime'
_publ_section_title
;
 Substituent Effect on the Formation of Arylindanes by Dimerization of
 Ferulic Acid and its Related Compounds.
;
_journal_issue                   10
_journal_name_full               'ACS omega'
_journal_page_first              12746
_journal_page_last               12753
_journal_paper_doi               10.1021/acsomega.8b01953
_journal_volume                  3
_journal_year                    2018
_chemical_formula_moiety         'C26 H32 O10'
_chemical_formula_sum            'C26 H32 O10'
_chemical_formula_weight         504.51
_chemical_name_common            5b
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                89.7450(10)
_cell_angle_beta                 76.6900(10)
_cell_angle_gamma                79.1410(10)
_cell_formula_units_Z            2
_cell_length_a                   8.79880(16)
_cell_length_b                   10.50228(19)
_cell_length_c                   13.8851(3)
_cell_measurement_reflns_used    8438
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      68.23
_cell_measurement_theta_min      3.27
_cell_volume                     1225.25(4)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 5.000
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12901
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        67.687
_diffrn_reflns_theta_max         68.230
_diffrn_reflns_theta_min         3.274
_exptl_absorpt_coefficient_mu    0.881
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_description       prism
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.259
_refine_diff_density_min         -0.300
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4357
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0725P)²+0.2391P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1270
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3640
_reflns_number_total             4357
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ao8b01953_si_002.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        1225.24(4)
_cod_database_code               4515883
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.778
_shelx_estimated_absorpt_t_max   0.843
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
O1 O -0.20640(14) 1.04927(11) 0.37558(8) 0.0208(3) Uani 1 1 d . .
O2 O -0.48329(15) 0.78594(12) 0.04835(9) 0.0289(3) Uani 1 1 d . .
O3 O 0.08604(15) 1.27800(11) 0.12989(8) 0.0248(3) Uani 1 1 d . .
O4 O 0.55107(14) 0.24119(11) 0.49097(8) 0.0248(3) Uani 1 1 d . .
H4 H 0.6188 0.2154 0.4402 0.030 Uiso 1 1 calc R U
O5 O 0.07987(16) 0.75088(12) 0.47377(9) 0.0304(3) Uani 1 1 d . .
O6 O 0.30309(14) 0.35699(11) 0.63908(8) 0.0204(3) Uani 1 1 d . .
O7 O 0.17471(15) 0.81181(12) 0.32046(9) 0.0267(3) Uani 1 1 d . .
O8 O 0.53009(14) 0.24231(11) 0.30134(8) 0.0235(3) Uani 1 1 d . .
O9 O -0.26948(16) 0.69197(13) 0.10305(11) 0.0369(3) Uani 1 1 d . .
O10 O -0.05787(16) 1.24932(11) 0.32169(8) 0.0275(3) Uani 1 1 d . .
H10 H -0.0847 1.2215 0.3771 0.033 Uiso 1 1 calc R U
C11 C 0.2624(2) 0.37802(15) 0.34695(12) 0.0192(4) Uani 1 1 d . .
H11 H 0.2536 0.3827 0.2815 0.023 Uiso 1 1 calc R U
C12 C 0.14616(19) 0.43000(15) 0.52133(11) 0.0174(3) Uani 1 1 d . .
C13 C 0.13634(19) 0.44033(15) 0.42306(11) 0.0172(3) Uani 1 1 d . .
C14 C 0.00405(19) 1.08855(16) 0.07793(11) 0.0186(4) Uani 1 1 d . .
C15 C -0.0646(2) 1.16083(16) 0.25220(12) 0.0196(4) Uani 1 1 d . .
C16 C -0.1474(2) 0.96967(16) 0.20250(12) 0.0192(4) Uani 1 1 d . .
H16 H -0.1993 0.9004 0.2190 0.023 Uiso 1 1 calc R U
C17 C -0.07581(19) 0.98640(15) 0.10305(11) 0.0179(4) Uani 1 1 d . .
C18 C 0.2892(2) 0.36563(15) 0.54165(12) 0.0183(4) Uani 1 1 d . .
C19 C -0.3369(2) 0.78042(17) 0.06383(12) 0.0234(4) Uani 1 1 d . .
C20 C -0.14133(19) 1.05545(16) 0.27597(11) 0.0189(4) Uani 1 1 d . .
C21 C 0.3996(2) 0.30983(15) 0.36897(12) 0.0199(4) Uani 1 1 d . .
C22 C -0.00578(19) 0.52122(15) 0.39300(11) 0.0177(4) Uani 1 1 d . .
H22 H -0.0416 0.4658 0.3496 0.021 Uiso 1 1 calc R U
C23 C 0.0474(2) 0.63495(16) 0.33110(11) 0.0188(4) Uani 1 1 d . .
H23A H 0.1341 0.5991 0.2756 0.023 Uiso 1 1 calc R U
H23B H -0.0405 0.6778 0.3042 0.023 Uiso 1 1 calc R U
C24 C 0.41541(19) 0.30506(15) 0.46666(12) 0.0189(4) Uani 1 1 d . .
C25 C 0.0054(2) 1.17666(16) 0.15401(12) 0.0200(4) Uani 1 1 d . .
C26 C -0.09555(19) 0.89242(16) 0.02581(11) 0.0183(4) Uani 1 1 d . .
H26 H -0.0539 0.8046 0.0437 0.022 Uiso 1 1 calc R U
C27 C 0.4011(2) 0.44138(19) 0.66344(13) 0.0290(4) Uani 1 1 d . .
H27A H 0.5089 0.4129 0.6267 0.035 Uiso 1 1 calc R U
H27B H 0.3972 0.4391 0.7331 0.035 Uiso 1 1 calc R U
H27C H 0.3625 0.5284 0.6468 0.035 Uiso 1 1 calc R U
C28 C -0.2750(2) 0.90046(16) 0.02815(12) 0.0212(4) Uani 1 1 d . .
H28A H -0.3368 0.9739 0.0710 0.025 Uiso 1 1 calc R U
H28B H -0.2909 0.9164 -0.0380 0.025 Uiso 1 1 calc R U
C29 C 0.5335(2) 0.25785(18) 0.19920(12) 0.0288(4) Uani 1 1 d . .
H29A H 0.5318 0.3473 0.1840 0.035 Uiso 1 1 calc R U
H29B H 0.4422 0.2315 0.1846 0.035 Uiso 1 1 calc R U
H29C H 0.6287 0.2053 0.1600 0.035 Uiso 1 1 calc R U
C30 C 0.1009(2) 0.73566(16) 0.38528(12) 0.0202(4) Uani 1 1 d . .
C31 C -0.5612(2) 0.6799(2) 0.08621(16) 0.0371(5) Uani 1 1 d . .
H31A H -0.5661 0.6723 0.1565 0.045 Uiso 1 1 calc R U
H31B H -0.5026 0.5988 0.0522 0.045 Uiso 1 1 calc R U
C32 C 0.2234(2) 0.92006(18) 0.36237(14) 0.0286(4) Uani 1 1 d . .
H32A H 0.2856 0.8895 0.4101 0.034 Uiso 1 1 calc R U
H32B H 0.1306 0.9827 0.3958 0.034 Uiso 1 1 calc R U
C33 C -0.2913(2) 0.94657(17) 0.40515(13) 0.0267(4) Uani 1 1 d . .
H33A H -0.3810 0.9561 0.3756 0.032 Uiso 1 1 calc R U
H33B H -0.3276 0.9501 0.4760 0.032 Uiso 1 1 calc R U
H33C H -0.2221 0.8646 0.3837 0.032 Uiso 1 1 calc R U
C34 C -0.0186(3) 1.40011(17) 0.12519(14) 0.0321(4) Uani 1 1 d . .
H34A H -0.0679 1.3962 0.0707 0.039 Uiso 1 1 calc R U
H34B H 0.0417 1.4683 0.1160 0.039 Uiso 1 1 calc R U
H34C H -0.0991 1.4171 0.1858 0.039 Uiso 1 1 calc R U
C35 C 0.3211(3) 0.9813(2) 0.27883(16) 0.0405(5) Uani 1 1 d . .
H35A H 0.2570 1.0146 0.2336 0.049 Uiso 1 1 calc R U
H35B H 0.4103 0.9176 0.2447 0.049 Uiso 1 1 calc R U
H35C H 0.3588 1.0510 0.3046 0.049 Uiso 1 1 calc R U
C36 C -0.7265(3) 0.7093(2) 0.06854(15) 0.0429(6) Uani 1 1 d . .
H36A H -0.7794 0.6385 0.0896 0.052 Uiso 1 1 calc R U
H36B H -0.7203 0.7211 -0.0008 0.052 Uiso 1 1 calc R U
H36C H -0.7853 0.7872 0.1055 0.052 Uiso 1 1 calc R U
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C20 O1 C33 116.94(12) . .
C19 O2 C31 115.75(14) . .
C25 O3 C34 112.95(13) . .
C24 O4 H4 109.5 . .
C18 O6 C27 112.75(12) . .
C30 O7 C32 116.30(13) . .
C21 O8 C29 117.46(13) . .
C15 O10 H10 109.5 . .
C21 C11 C13 120.16(14) . .
C21 C11 H11 119.9 . .
C13 C11 H11 119.9 . .
C13 C12 C18 118.45(15) . .
C13 C12 C22 122.56(14) . 2_566
C18 C12 C22 118.90(14) . 2_566
C12 C13 C11 120.33(15) . .
C12 C13 C22 122.33(14) . .
C11 C13 C22 117.31(14) . .
C17 C14 C25 118.33(14) . .
C17 C14 C26 123.70(14) . 2_575
C25 C14 C26 117.92(15) . 2_575
O10 C15 C25 118.59(15) . .
O10 C15 C20 122.64(14) . .
C25 C15 C20 118.77(15) . .
C20 C16 C17 120.39(15) . .
C20 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C14 C17 C16 120.20(14) . .
C14 C17 C26 122.47(14) . .
C16 C17 C26 117.29(14) . .
O6 C18 C24 119.04(14) . .
O6 C18 C12 119.46(14) . .
C24 C18 C12 121.43(14) . .
O9 C19 O2 123.48(16) . .
O9 C19 C28 126.14(16) . .
O2 C19 C28 110.36(14) . .
O1 C20 C16 125.81(15) . .
O1 C20 C15 113.76(14) . .
C16 C20 C15 120.44(15) . .
O8 C21 C11 125.70(14) . .
O8 C21 C24 114.03(14) . .
C11 C21 C24 120.27(15) . .
C12 C22 C13 114.31(13) 2_566 .
C12 C22 C23 111.09(13) 2_566 .
C13 C22 C23 109.36(13) . .
C12 C22 H22 107.2 2_566 .
C13 C22 H22 107.2 . .
C23 C22 H22 107.2 . .
C30 C23 C22 116.06(13) . .
C30 C23 H23A 108.3 . .
C22 C23 H23A 108.3 . .
C30 C23 H23B 108.3 . .
C22 C23 H23B 108.3 . .
H23A C23 H23B 107.4 . .
O4 C24 C18 118.96(14) . .
O4 C24 C21 121.90(14) . .
C18 C24 C21 119.14(15) . .
C15 C25 O3 119.33(14) . .
C15 C25 C14 121.82(15) . .
O3 C25 C14 118.77(14) . .
C14 C26 C17 113.45(14) 2_575 .
C14 C26 C28 110.33(13) 2_575 .
C17 C26 C28 110.62(13) . .
C14 C26 H26 107.4 2_575 .
C17 C26 H26 107.4 . .
C28 C26 H26 107.4 . .
O6 C27 H27A 109.5 . .
O6 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
O6 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C19 C28 C26 113.98(14) . .
C19 C28 H28A 108.8 . .
C26 C28 H28A 108.8 . .
C19 C28 H28B 108.8 . .
C26 C28 H28B 108.8 . .
H28A C28 H28B 107.7 . .
O8 C29 H29A 109.5 . .
O8 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
O8 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
O5 C30 O7 123.05(16) . .
O5 C30 C23 126.95(15) . .
O7 C30 C23 109.98(13) . .
O2 C31 C36 107.42(17) . .
O2 C31 H31A 110.2 . .
C36 C31 H31A 110.2 . .
O2 C31 H31B 110.2 . .
C36 C31 H31B 110.2 . .
H31A C31 H31B 108.5 . .
O7 C32 C35 107.55(15) . .
O7 C32 H32A 110.2 . .
C35 C32 H32A 110.2 . .
O7 C32 H32B 110.2 . .
C35 C32 H32B 110.2 . .
H32A C32 H32B 108.5 . .
O1 C33 H33A 109.5 . .
O1 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
O1 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
O3 C34 H34A 109.5 . .
O3 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
O3 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C32 C35 H35A 109.5 . .
C32 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C32 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C31 C36 H36A 109.5 . .
C31 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C31 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C20 1.3761(19) .
O1 C33 1.431(2) .
O2 C19 1.345(2) .
O2 C31 1.450(2) .
O3 C25 1.3856(19) .
O3 C34 1.442(2) .
O4 C24 1.3677(19) .
O4 H4 0.8200 .
O5 C30 1.206(2) .
O6 C18 1.3872(19) .
O6 C27 1.438(2) .
O7 C30 1.339(2) .
O7 C32 1.456(2) .
O8 C21 1.3803(19) .
O8 C29 1.421(2) .
O9 C19 1.203(2) .
O10 C15 1.3613(19) .
O10 H10 0.8200 .
C11 C21 1.381(2) .
C11 C13 1.403(2) .
C11 H11 0.9300 .
C12 C13 1.389(2) .
C12 C18 1.401(2) .
C12 C22 1.514(2) 2_566
C13 C22 1.515(2) .
C14 C17 1.391(2) .
C14 C25 1.411(2) .
C14 C26 1.512(2) 2_575
C15 C25 1.384(2) .
C15 C20 1.402(2) .
C16 C20 1.381(2) .
C16 C17 1.405(2) .
C16 H16 0.9300 .
C17 C26 1.521(2) .
C18 C24 1.389(2) .
C19 C28 1.503(2) .
C21 C24 1.395(2) .
C22 C12 1.514(2) 2_566
C22 C23 1.550(2) .
C22 H22 0.9800 .
C23 C30 1.504(2) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C26 C14 1.512(2) 2_575
C26 C28 1.558(2) .
C26 H26 0.9800 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C31 C36 1.505(3) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C35 1.497(3) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
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_4
C18 C12 C13 C11 5.3(2) . .
C22 C12 C13 C11 -171.15(15) 2_566 .
C18 C12 C13 C22 -172.73(14) . .
C22 C12 C13 C22 10.8(3) 2_566 .
C21 C11 C13 C12 -2.3(2) . .
C21 C11 C13 C22 175.79(15) . .
C25 C14 C17 C16 -2.4(2) . .
C26 C14 C17 C16 174.91(15) 2_575 .
C25 C14 C17 C26 175.08(15) . .
C26 C14 C17 C26 -7.6(3) 2_575 .
C20 C16 C17 C14 1.0(2) . .
C20 C16 C17 C26 -176.65(15) . .
C27 O6 C18 C24 76.60(18) . .
C27 O6 C18 C12 -106.24(17) . .
C13 C12 C18 O6 178.38(13) . .
C22 C12 C18 O6 -5.0(2) 2_566 .
C13 C12 C18 C24 -4.5(2) . .
C22 C12 C18 C24 172.06(14) 2_566 .
C31 O2 C19 O9 2.7(2) . .
C31 O2 C19 C28 -175.68(14) . .
C33 O1 C20 C16 -1.7(2) . .
C33 O1 C20 C15 178.03(14) . .
C17 C16 C20 O1 -179.89(14) . .
C17 C16 C20 C15 0.4(2) . .
O10 C15 C20 O1 -0.9(2) . .
C25 C15 C20 O1 179.95(14) . .
O10 C15 C20 C16 178.77(15) . .
C25 C15 C20 C16 -0.3(2) . .
C29 O8 C21 C11 8.9(2) . .
C29 O8 C21 C24 -170.99(15) . .
C13 C11 C21 O8 178.51(15) . .
C13 C11 C21 C24 -1.6(2) . .
C12 C13 C22 C12 -10.0(2) . 2_566
C11 C13 C22 C12 171.92(14) . 2_566
C12 C13 C22 C23 115.27(16) . .
C11 C13 C22 C23 -62.82(18) . .
C12 C22 C23 C30 60.60(18) 2_566 .
C13 C22 C23 C30 -66.51(17) . .
O6 C18 C24 O4 -1.5(2) . .
C12 C18 C24 O4 -178.58(14) . .
O6 C18 C24 C21 177.81(14) . .
C12 C18 C24 C21 0.7(2) . .
O8 C21 C24 O4 1.6(2) . .
C11 C21 C24 O4 -178.34(15) . .
O8 C21 C24 C18 -177.70(14) . .
C11 C21 C24 C18 2.4(2) . .
O10 C15 C25 O3 2.9(2) . .
C20 C15 C25 O3 -177.96(14) . .
O10 C15 C25 C14 179.66(15) . .
C20 C15 C25 C14 -1.2(3) . .
C34 O3 C25 C15 -80.86(19) . .
C34 O3 C25 C14 102.27(17) . .
C17 C14 C25 C15 2.6(2) . .
C26 C14 C25 C15 -174.93(15) 2_575 .
C17 C14 C25 O3 179.36(14) . .
C26 C14 C25 O3 1.9(2) 2_575 .
C14 C17 C26 C14 6.9(2) . 2_575
C16 C17 C26 C14 -175.55(14) . 2_575
C14 C17 C26 C28 -117.74(16) . .
C16 C17 C26 C28 59.84(18) . .
O9 C19 C28 C26 11.9(2) . .
O2 C19 C28 C26 -169.80(13) . .
C14 C26 C28 C19 121.36(15) 2_575 .
C17 C26 C28 C19 -112.27(15) . .
C32 O7 C30 O5 -2.8(2) . .
C32 O7 C30 C23 175.78(14) . .
C22 C23 C30 O5 -14.7(2) . .
C22 C23 C30 O7 166.82(13) . .
C19 O2 C31 C36 175.72(15) . .
C30 O7 C32 C35 172.74(16) . .
