#------------------------------------------------------------------------------
#$Date: 2016-03-21 03:09:59 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178423 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/44/4024417.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_4024417
loop_
_publ_author_name
'Zhi-Bin Zhu'
'Min Shi'
_publ_section_title
;
Acid-Catalyzed Cascade Ring-Opening and Addition Reactions of
Arylvinylcyclopropenes with α,β-Unsaturated Substrates, Scope and
Limitations
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2481
_journal_page_last               2485
_journal_paper_doi               10.1021/jo802786r
_journal_volume                  74
_journal_year                    2009
_chemical_formula_sum            'C33 H32 O5'
_chemical_formula_weight         508.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.622(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4843(15)
_cell_length_b                   9.9238(9)
_cell_length_c                   16.6985(16)
_cell_measurement_reflns_used    2896
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      45.578
_cell_measurement_theta_min      4.830
_cell_volume                     2617.5(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_av_sigmaI/netI    0.0558
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13435
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7915
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.457
_exptl_crystal_size_mid          0.411
_exptl_crystal_size_min          0.347
_refine_diff_density_max         0.947
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4861
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.1171
_refine_ls_R_factor_gt           0.0900
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1726P)²+1.0681P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2676
_refine_ls_wR_factor_ref         0.2900
_reflns_number_gt                3323
_reflns_number_total             4861
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo802786r_si_001.cif
_cod_data_source_block           cd2885
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4024417
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'
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 -0.00274(18) -0.0817(3) 0.2787(2) 0.0605(8) Uani 1 1 d . . .
O2 O 0.0997(2) -0.0399(3) 0.3952(2) 0.0741(9) Uani 1 1 d . . .
O3 O -0.08843(19) -0.0781(3) 0.1478(2) 0.0791(10) Uani 1 1 d . . .
O4 O 0.7187(10) 0.1084(16) 0.4680(11) 0.188(9) Uiso 1 1 d D . .
O5 O 0.6431(3) 0.1939(6) 0.4877(4) 0.118(2) Uani 1 1 d D . .
C1 C 0.0689(3) -0.0140(4) 0.3241(3) 0.0533(10) Uani 1 1 d . . .
C2 C 0.0949(2) 0.0849(4) 0.2680(2) 0.0450(9) Uani 1 1 d . . .
H2 H 0.1118 0.1704 0.2975 0.054 Uiso 1 1 calc R . .
C3 C 0.0139(2) 0.1040(4) 0.1974(2) 0.0465(9) Uani 1 1 d . . .
H3 H -0.0182 0.1751 0.2154 0.056 Uiso 1 1 calc R . .
C4 C -0.0327(2) -0.0250(4) 0.1994(3) 0.0566(11) Uani 1 1 d . . .
C5 C 0.0232(2) 0.1481(4) 0.1134(2) 0.0535(10) Uani 1 1 d . . .
H5A H -0.0035 0.0810 0.0720 0.064 Uiso 1 1 calc R . .
H5B H -0.0074 0.2319 0.0977 0.064 Uiso 1 1 calc R . .
C6 C 0.1125(2) 0.1683(4) 0.1101(2) 0.0461(9) Uani 1 1 d . . .
C7 C 0.1794(2) 0.1141(4) 0.1667(2) 0.0416(8) Uani 1 1 d . . .
C8 C 0.1686(2) 0.0282(4) 0.2378(2) 0.0414(8) Uani 1 1 d . . .
H8 H 0.2204 0.0387 0.2842 0.050 Uiso 1 1 calc R . .
C9 C 0.2654(2) 0.1195(4) 0.1561(2) 0.0445(9) Uani 1 1 d . . .
H9 H 0.2685 0.1047 0.1021 0.053 Uiso 1 1 calc R . .
C10 C 0.3396(2) 0.1428(4) 0.2137(2) 0.0404(8) Uani 1 1 d . . .
C11 C 0.1208(3) 0.2518(5) 0.0384(3) 0.0642(12) Uani 1 1 d . . .
H11A H 0.1783 0.2818 0.0491 0.096 Uiso 1 1 calc R . .
H11B H 0.0841 0.3286 0.0317 0.096 Uiso 1 1 calc R . .
H11C H 0.1055 0.1988 -0.0118 0.096 Uiso 1 1 calc R . .
C12 C 0.1606(2) -0.1215(4) 0.2155(2) 0.0420(8) Uani 1 1 d . . .
C13 C 0.2004(2) -0.2151(4) 0.2752(3) 0.0538(10) Uani 1 1 d . . .
H13 H 0.2314 -0.1859 0.3280 0.065 Uiso 1 1 calc R . .
C14 C 0.1947(3) -0.3512(4) 0.2576(3) 0.0653(12) Uani 1 1 d . . .
H14 H 0.2218 -0.4123 0.2988 0.078 Uiso 1 1 calc R . .
C15 C 0.1507(3) -0.3968(5) 0.1819(3) 0.0649(12) Uani 1 1 d . . .
H15 H 0.1470 -0.4889 0.1710 0.078 Uiso 1 1 calc R . .
C16 C 0.1106(3) -0.3051(5) 0.1196(3) 0.0694(13) Uani 1 1 d . . .
H16 H 0.0805 -0.3351 0.0667 0.083 Uiso 1 1 calc R . .
C17 C 0.1163(3) -0.1703(4) 0.1379(3) 0.0568(10) Uani 1 1 d . . .
H17 H 0.0894 -0.1094 0.0965 0.068 Uiso 1 1 calc R . .
C18 C 0.3472(2) 0.1834(4) 0.3010(2) 0.0405(8) Uani 1 1 d . . .
C19 C 0.4088(2) 0.1259(4) 0.3664(2) 0.0516(10) Uani 1 1 d . . .
H19 H 0.4468 0.0645 0.3553 0.062 Uiso 1 1 calc R . .
C20 C 0.4144(3) 0.1593(5) 0.4485(2) 0.0654(12) Uani 1 1 d . . .
H20 H 0.4562 0.1201 0.4919 0.078 Uiso 1 1 calc R . .
C21 C 0.3592(3) 0.2490(5) 0.4661(3) 0.0660(12) Uani 1 1 d . . .
H21 H 0.3624 0.2690 0.5213 0.079 Uiso 1 1 calc R . .
C22 C 0.2988(3) 0.3100(4) 0.4018(3) 0.0592(11) Uani 1 1 d . . .
H22 H 0.2620 0.3729 0.4135 0.071 Uiso 1 1 calc R . .
C23 C 0.2931(2) 0.2774(4) 0.3195(2) 0.0473(9) Uani 1 1 d . . .
H23 H 0.2524 0.3192 0.2763 0.057 Uiso 1 1 calc R . .
C24 C 0.4190(2) 0.1293(4) 0.1895(2) 0.0442(9) Uani 1 1 d . . .
C25 C 0.4813(3) 0.2287(5) 0.2106(3) 0.0631(12) Uani 1 1 d . . .
H25 H 0.4745 0.3017 0.2429 0.076 Uiso 1 1 calc R . .
C26 C 0.5527(3) 0.2197(6) 0.1839(3) 0.0807(15) Uani 1 1 d . . .
H26 H 0.5933 0.2875 0.1977 0.097 Uiso 1 1 calc R . .
C27 C 0.5647(3) 0.1122(7) 0.1372(3) 0.0811(16) Uani 1 1 d . . .
H27 H 0.6127 0.1077 0.1186 0.097 Uiso 1 1 calc R . .
C28 C 0.5058(4) 0.0115(6) 0.1180(3) 0.0801(16) Uani 1 1 d . . .
H28 H 0.5148 -0.0634 0.0881 0.096 Uiso 1 1 calc R . .
C29 C 0.4319(3) 0.0207(5) 0.1431(3) 0.0586(11) Uani 1 1 d . . .
H29 H 0.3913 -0.0469 0.1284 0.070 Uiso 1 1 calc R . .
C33 C 0.7068(8) 0.2472(11) 0.4879(5) 0.167(5) Uani 1 1 d D . .
C34 C 0.7661(5) 0.3342(8) 0.5157(3) 0.102(2) Uani 1 1 d D . .
C35 C 0.6487(7) 0.1195(11) 0.3852(7) 0.170(4) Uiso 1 1 d D . .
C36 C 0.6563(3) -0.0009(4) 0.3732(2) 0.0526(10) Uani 1 1 d D . .
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'
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
C1 O1 C4 109.9(3) . . ?
C33 O4 C35 91.3(10) . . ?
O2 C1 O1 120.0(4) . . ?
O2 C1 C2 130.8(4) . . ?
O1 C1 C2 109.1(3) . . ?
C1 C2 C3 102.8(3) . . ?
C1 C2 C8 110.9(3) . . ?
C3 C2 C8 113.0(3) . . ?
C1 C2 H2 110.0 . . ?
C3 C2 H2 110.0 . . ?
C8 C2 H2 110.0 . . ?
C4 C3 C5 117.0(3) . . ?
C4 C3 C2 102.6(3) . . ?
C5 C3 C2 117.0(3) . . ?
C4 C3 H3 106.4 . . ?
C5 C3 H3 106.4 . . ?
C2 C3 H3 106.4 . . ?
O3 C4 O1 120.0(4) . . ?
O3 C4 C3 131.1(5) . . ?
O1 C4 C3 108.8(3) . . ?
C6 C5 C3 115.5(3) . . ?
C6 C5 H5A 108.4 . . ?
C3 C5 H5A 108.4 . . ?
C6 C5 H5B 108.4 . . ?
C3 C5 H5B 108.4 . . ?
H5A C5 H5B 107.5 . . ?
C7 C6 C11 122.8(4) . . ?
C7 C6 C5 122.4(3) . . ?
C11 C6 C5 114.8(3) . . ?
C6 C7 C9 121.5(3) . . ?
C6 C7 C8 121.5(3) . . ?
C9 C7 C8 116.5(3) . . ?
C7 C8 C12 112.3(3) . . ?
C7 C8 C2 109.2(3) . . ?
C12 C8 C2 114.3(3) . . ?
C7 C8 H8 106.9 . . ?
C12 C8 H8 106.9 . . ?
C2 C8 H8 106.9 . . ?
C10 C9 C7 128.9(3) . . ?
C10 C9 H9 115.5 . . ?
C7 C9 H9 115.5 . . ?
C9 C10 C18 123.7(3) . . ?
C9 C10 C24 119.0(3) . . ?
C18 C10 C24 117.3(3) . . ?
C6 C11 H11A 109.5 . . ?
C6 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C6 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C17 C12 C13 117.1(4) . . ?
C17 C12 C8 123.7(3) . . ?
C13 C12 C8 119.2(3) . . ?
C14 C13 C12 121.0(4) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C13 121.1(4) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C16 119.6(4) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C17 C16 C15 118.8(4) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C16 C17 C12 122.4(4) . . ?
C16 C17 H17 118.8 . . ?
C12 C17 H17 118.8 . . ?
C19 C18 C23 118.4(3) . . ?
C19 C18 C10 120.1(3) . . ?
C23 C18 C10 121.5(3) . . ?
C18 C19 C20 120.5(4) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C21 C20 C19 120.6(4) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C22 119.7(4) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C21 C22 C23 119.9(4) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C18 C23 C22 120.8(4) . . ?
C18 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C29 C24 C25 118.2(4) . . ?
C29 C24 C10 120.9(3) . . ?
C25 C24 C10 120.8(4) . . ?
C26 C25 C24 120.7(4) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C27 C26 C25 120.7(5) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C26 119.7(4) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C29 120.2(5) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C24 C29 C28 120.5(4) . . ?
C24 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
O5 C33 C34 152.7(12) . . ?
O5 C33 O4 75.5(9) . . ?
C34 C33 O4 125.7(12) . . ?
C36 C35 O4 89.5(9) . . ?
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 C1 1.382(5) . ?
O1 C4 1.393(5) . ?
O2 C1 1.179(5) . ?
O3 C4 1.188(5) . ?
O4 C33 1.443(14) . ?
O4 C35 1.530(14) . ?
O5 C33 1.175(13) . ?
C1 C2 1.502(5) . ?
C2 C3 1.519(5) . ?
C2 C8 1.549(5) . ?
C2 H2 0.9800 . ?
C3 C4 1.499(5) . ?
C3 C5 1.517(6) . ?
C3 H3 0.9800 . ?
C5 C6 1.503(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C7 1.342(5) . ?
C6 C11 1.496(6) . ?
C7 C9 1.480(5) . ?
C7 C8 1.511(5) . ?
C8 C12 1.528(5) . ?
C8 H8 0.9800 . ?
C9 C10 1.341(5) . ?
C9 H9 0.9300 . ?
C10 C18 1.483(5) . ?
C10 C24 1.483(5) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C17 1.381(5) . ?
C12 C13 1.382(5) . ?
C13 C14 1.380(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.343(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.399(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.369(6) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.384(5) . ?
C18 C23 1.385(5) . ?
C19 C20 1.386(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.364(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.378(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.389(6) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C29 1.379(6) . ?
C24 C25 1.394(6) . ?
C25 C26 1.375(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.369(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.366(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.400(6) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C33 C34 1.288(12) . ?
C35 C36 1.223(10) . ?
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 O1 C1 O2 173.8(4) . . . . ?
C4 O1 C1 C2 -7.1(4) . . . . ?
O2 C1 C2 C3 -160.1(4) . . . . ?
O1 C1 C2 C3 20.8(4) . . . . ?
O2 C1 C2 C8 78.9(5) . . . . ?
O1 C1 C2 C8 -100.1(3) . . . . ?
C1 C2 C3 C4 -25.3(4) . . . . ?
C8 C2 C3 C4 94.3(3) . . . . ?
C1 C2 C3 C5 -154.9(3) . . . . ?
C8 C2 C3 C5 -35.3(4) . . . . ?
C1 O1 C4 O3 171.8(4) . . . . ?
C1 O1 C4 C3 -10.3(4) . . . . ?
C5 C3 C4 O3 -30.2(6) . . . . ?
C2 C3 C4 O3 -159.7(4) . . . . ?
C5 C3 C4 O1 152.3(3) . . . . ?
C2 C3 C4 O1 22.7(4) . . . . ?
C4 C3 C5 C6 -122.6(4) . . . . ?
C2 C3 C5 C6 -0.2(5) . . . . ?
C3 C5 C6 C7 19.4(5) . . . . ?
C3 C5 C6 C11 -161.3(4) . . . . ?
C11 C6 C7 C9 -7.6(6) . . . . ?
C5 C6 C7 C9 171.6(3) . . . . ?
C11 C6 C7 C8 -179.0(4) . . . . ?
C5 C6 C7 C8 0.2(5) . . . . ?
C6 C7 C8 C12 91.7(4) . . . . ?
C9 C7 C8 C12 -80.0(4) . . . . ?
C6 C7 C8 C2 -36.1(4) . . . . ?
C9 C7 C8 C2 152.1(3) . . . . ?
C1 C2 C8 C7 166.9(3) . . . . ?
C3 C2 C8 C7 52.1(4) . . . . ?
C1 C2 C8 C12 40.2(4) . . . . ?
C3 C2 C8 C12 -74.6(4) . . . . ?
C6 C7 C9 C10 139.4(4) . . . . ?
C8 C7 C9 C10 -48.8(5) . . . . ?
C7 C9 C10 C18 -7.0(6) . . . . ?
C7 C9 C10 C24 173.8(4) . . . . ?
C7 C8 C12 C17 -38.8(5) . . . . ?
C2 C8 C12 C17 86.3(4) . . . . ?
C7 C8 C12 C13 140.3(3) . . . . ?
C2 C8 C12 C13 -94.6(4) . . . . ?
C17 C12 C13 C14 -0.8(6) . . . . ?
C8 C12 C13 C14 -179.9(4) . . . . ?
C12 C13 C14 C15 0.2(7) . . . . ?
C13 C14 C15 C16 0.6(7) . . . . ?
C14 C15 C16 C17 -0.8(7) . . . . ?
C15 C16 C17 C12 0.3(7) . . . . ?
C13 C12 C17 C16 0.5(6) . . . . ?
C8 C12 C17 C16 179.6(4) . . . . ?
C9 C10 C18 C19 137.3(4) . . . . ?
C24 C10 C18 C19 -43.5(5) . . . . ?
C9 C10 C18 C23 -41.9(5) . . . . ?
C24 C10 C18 C23 137.3(4) . . . . ?
C23 C18 C19 C20 1.8(6) . . . . ?
C10 C18 C19 C20 -177.5(4) . . . . ?
C18 C19 C20 C21 0.1(7) . . . . ?
C19 C20 C21 C22 -1.8(7) . . . . ?
C20 C21 C22 C23 1.6(7) . . . . ?
C19 C18 C23 C22 -2.0(6) . . . . ?
C10 C18 C23 C22 177.2(3) . . . . ?
C21 C22 C23 C18 0.4(6) . . . . ?
C9 C10 C24 C29 -45.0(5) . . . . ?
C18 C10 C24 C29 135.7(4) . . . . ?
C9 C10 C24 C25 132.6(4) . . . . ?
C18 C10 C24 C25 -46.7(5) . . . . ?
C29 C24 C25 C26 1.5(6) . . . . ?
C10 C24 C25 C26 -176.2(4) . . . . ?
C24 C25 C26 C27 -0.9(8) . . . . ?
C25 C26 C27 C28 -1.1(8) . . . . ?
C26 C27 C28 C29 2.5(8) . . . . ?
C25 C24 C29 C28 -0.1(6) . . . . ?
C10 C24 C29 C28 177.6(4) . . . . ?
C27 C28 C29 C24 -1.9(7) . . . . ?
C35 O4 C33 O5 65.2(9) . . . . ?
C35 O4 C33 C34 -134.0(10) . . . . ?
C33 O4 C35 C36 -175.5(11) . . . . ?
