#------------------------------------------------------------------------------
#$Date: 2021-12-07 05:56:05 +0200 (Tue, 07 Dec 2021) $
#$Revision: 271231 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/83/7158361.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_7158361
loop_
_publ_author_name
'Xiao, Jian'
'Zhao, Jun'
'Wang, Ya-Wen'
'Luo, Gan'
'Peng, Yu'
_publ_section_title
;
 Total syntheses of (+)-adunctins C and D: assignment of their absolute
 configurations.
;
_journal_issue                   45
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              9840
_journal_page_last               9843
_journal_paper_doi               10.1039/d1ob02055b
_journal_volume                  19
_journal_year                    2021
_chemical_formula_moiety         'C26 H30 O4'
_chemical_formula_sum            'C26 H30 O4'
_chemical_formula_weight         406.50
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     geom
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-08-17 deposited with the CCDC.	2021-10-29 downloaded from the CCDC.
;
_cell_angle_alpha                102.568(6)
_cell_angle_beta                 105.923(6)
_cell_angle_gamma                105.637(7)
_cell_formula_units_Z            2
_cell_length_a                   10.5525(9)
_cell_length_b                   10.5881(9)
_cell_length_c                   11.4412(6)
_cell_measurement_reflns_used    1843
_cell_measurement_temperature    293.30(10)
_cell_measurement_theta_max      67.7530
_cell_measurement_theta_min      9.7890
_cell_volume                     1123.59(17)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293.30(10)
_diffrn_detector_area_resol_mean 16.0733
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'micro-focus sealed X-ray tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6710
_diffrn_reflns_theta_full        66.59
_diffrn_reflns_theta_max         66.59
_diffrn_reflns_theta_min         6.62
_exptl_absorpt_coefficient_mu    0.636
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow '
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.603
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         3854
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1039
_refine_ls_R_factor_gt           0.0838
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1584P)²+0.3287P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2422
_refine_ls_wR_factor_ref         0.2708
_reflns_number_gt                2809
_reflns_number_total             3854
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1ob02055b2.cif
_cod_data_source_block           zhuangzhy_1127
_cod_depositor_comments
'Adding full bibliography for 7158361--7158363.cif.'
_cod_original_cell_volume        1123.59(14)
_cod_database_code               7158361
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.6975(2) 0.42768(18) 0.38290(16) 0.0578(5) Uani 1 1 d . . .
O2 O 0.6611(3) 0.4281(3) 0.7944(2) 0.0900(8) Uani 1 1 d . . .
H2 H 0.6524 0.3465 0.7692 0.135 Uiso 1 1 calc R . .
C3 C 0.6789(3) 0.4092(3) 0.5871(2) 0.0561(7) Uani 1 1 d . . .
C4 C 0.6920(3) 0.4825(3) 0.4992(2) 0.0530(6) Uani 1 1 d . . .
O5 O 0.6911(3) 0.8177(2) 0.6467(2) 0.0803(7) Uani 1 1 d . . .
O6 O 0.6656(3) 0.2116(3) 0.6511(2) 0.0946(8) Uani 1 1 d . . .
C7 C 0.6982(3) 0.6169(3) 0.5220(2) 0.0585(7) Uani 1 1 d . . .
C8 C 0.6793(3) 0.2680(3) 0.5689(3) 0.0655(8) Uani 1 1 d . . .
C9 C 0.6880(3) 0.6862(3) 0.6347(3) 0.0630(7) Uani 1 1 d . . .
C10 C 0.6714(3) 0.4859(4) 0.7014(3) 0.0649(8) Uani 1 1 d . . .
C11 C 0.6752(3) 0.6200(3) 0.7249(3) 0.0677(8) Uani 1 1 d . . .
H11 H 0.6693 0.6661 0.8011 0.081 Uiso 1 1 calc R . .
C12 C 0.7019(3) 0.1922(3) 0.4544(3) 0.0680(8) Uani 1 1 d . . .
H12A H 0.7884 0.2486 0.4496 0.082 Uiso 1 1 calc R . .
H12B H 0.6254 0.1807 0.3782 0.082 Uiso 1 1 calc R . .
C13 C 0.7386(3) 0.5425(3) 0.3297(2) 0.0574(7) Uani 1 1 d . . .
C14 C 0.7102(4) 0.6619(3) 0.4087(3) 0.0667(8) Uani 1 1 d . . .
H14A H 0.7873 0.7487 0.4345 0.080 Uiso 1 1 calc R . .
H14B H 0.6237 0.6715 0.3612 0.080 Uiso 1 1 calc R . .
C15 C 0.6524(3) 0.4914(3) 0.1900(3) 0.0612(7) Uani 1 1 d . . .
H15 H 0.5626 0.4963 0.1651 0.073 Uiso 1 1 calc R . .
C16 C 0.7478(4) -0.0138(3) 0.3445(3) 0.0765(9) Uani 1 1 d . . .
C17 C 0.8381(4) 0.4261(4) 0.1245(3) 0.0757(9) Uani 1 1 d . . .
H17 H 0.8938 0.4937 0.0949 0.091 Uiso 1 1 calc R . .
C18 C 0.8927(3) 0.5732(3) 0.3490(3) 0.0723(8) Uani 1 1 d . . .
H18A H 0.9288 0.6570 0.3288 0.087 Uiso 1 1 calc R . .
H18B H 0.9449 0.5884 0.4381 0.087 Uiso 1 1 calc R . .
C19 C 0.6962(4) 0.4411(4) 0.1026(3) 0.0801(9) Uani 1 1 d . . .
H19 H 0.6348 0.4111 0.0183 0.096 Uiso 1 1 calc R . .
C20 C 0.6850(5) 0.8960(4) 0.7623(4) 0.0957(12) Uani 1 1 d . . .
H20A H 0.7656 0.9075 0.8333 0.144 Uiso 1 1 calc R . .
H20B H 0.6007 0.8482 0.7744 0.144 Uiso 1 1 calc R . .
H20C H 0.6845 0.9851 0.7567 0.144 Uiso 1 1 calc R . .
C21 C 0.6464(4) -0.1062(4) 0.2315(4) 0.0824(10) Uani 1 1 d . . .
H21 H 0.5521 -0.1265 0.2224 0.099 Uiso 1 1 calc R . .
C22 C 0.7105(5) 0.0513(4) 0.4533(4) 0.0958(12) Uani 1 1 d . . .
H22A H 0.7806 0.0607 0.5331 0.115 Uiso 1 1 calc R . .
H22B H 0.6205 -0.0091 0.4483 0.115 Uiso 1 1 calc R . .
C23 C 0.8125(5) 0.2763(5) 0.0389(4) 0.0963(12) Uani 1 1 d . . .
H23 H 0.7661 0.2702 -0.0501 0.116 Uiso 1 1 calc R . .
C24 C 0.9139(4) 0.4560(5) 0.2656(4) 0.0922(11) Uani 1 1 d . . .
H24A H 0.8810 0.3735 0.2887 0.111 Uiso 1 1 calc R . .
H24B H 1.0138 0.4779 0.2818 0.111 Uiso 1 1 calc R . .
C25 C 0.7153(5) 0.1614(5) 0.0664(4) 0.1040(13) Uani 1 1 d . . .
H25A H 0.6328 0.1823 0.0689 0.156 Uiso 1 1 calc R . .
H25B H 0.7631 0.1537 0.1476 0.156 Uiso 1 1 calc R . .
H25C H 0.6884 0.0757 0.0003 0.156 Uiso 1 1 calc R . .
C26 C 0.8873(4) 0.0139(5) 0.3521(4) 0.0941(11) Uani 1 1 d . . .
H26 H 0.9595 0.0762 0.4261 0.113 Uiso 1 1 calc R . .
C27 C 0.8161(5) -0.1421(5) 0.1431(5) 0.1009(12) Uani 1 1 d . . .
H27 H 0.8387 -0.1867 0.0765 0.121 Uiso 1 1 calc R . .
C28 C 0.9481(7) 0.2578(7) 0.0472(8) 0.173(3) Uani 1 1 d . . .
H28A H 0.9853 0.2379 0.1248 0.259 Uiso 1 1 calc R . .
H28B H 1.0133 0.3410 0.0473 0.259 Uiso 1 1 calc R . .
H28C H 0.9340 0.1826 -0.0250 0.259 Uiso 1 1 calc R . .
C29 C 0.6794(5) -0.1686(4) 0.1328(4) 0.0942(11) Uani 1 1 d . . .
H29 H 0.6080 -0.2298 0.0577 0.113 Uiso 1 1 calc R . .
C30 C 0.9195(5) -0.0494(6) 0.2523(6) 0.1095(15) Uani 1 1 d . . .
H30 H 1.0132 -0.0289 0.2590 0.131 Uiso 1 1 calc R . .
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
_geom_angle_publ_flag
C4 O1 C13 107.95(19) . . ?
C10 O2 H2 109.5 . . ?
C4 C3 C10 114.4(3) . . ?
C4 C3 C8 124.7(2) . . ?
C10 C3 C8 120.9(2) . . ?
O1 C4 C7 112.7(2) . . ?
O1 C4 C3 124.1(2) . . ?
C7 C4 C3 123.2(2) . . ?
C9 O5 C20 118.2(3) . . ?
C4 C7 C9 119.9(2) . . ?
C4 C7 C14 109.3(2) . . ?
C9 C7 C14 130.8(3) . . ?
O6 C8 C3 120.0(3) . . ?
O6 C8 C12 119.1(3) . . ?
C3 C8 C12 120.9(2) . . ?
O5 C9 C11 125.0(3) . . ?
O5 C9 C7 115.4(3) . . ?
C11 C9 C7 119.6(3) . . ?
O2 C10 C11 116.7(3) . . ?
O2 C10 C3 120.2(3) . . ?
C11 C10 C3 123.1(3) . . ?
C10 C11 C9 119.8(3) . . ?
C10 C11 H11 120.1 . . ?
C9 C11 H11 120.1 . . ?
C8 C12 C22 115.0(3) . . ?
C8 C12 H12A 108.5 . . ?
C22 C12 H12A 108.5 . . ?
C8 C12 H12B 108.5 . . ?
C22 C12 H12B 108.5 . . ?
H12A C12 H12B 107.5 . . ?
O1 C13 C15 107.5(2) . . ?
O1 C13 C18 106.1(2) . . ?
C15 C13 C18 110.4(2) . . ?
O1 C13 C14 104.61(19) . . ?
C15 C13 C14 114.4(2) . . ?
C18 C13 C14 113.2(2) . . ?
C7 C14 C13 102.2(2) . . ?
C7 C14 H14A 111.3 . . ?
C13 C14 H14A 111.3 . . ?
C7 C14 H14B 111.3 . . ?
C13 C14 H14B 111.3 . . ?
H14A C14 H14B 109.2 . . ?
C19 C15 C13 123.2(3) . . ?
C19 C15 H15 118.4 . . ?
C13 C15 H15 118.4 . . ?
C21 C16 C26 116.3(4) . . ?
C21 C16 C22 121.8(4) . . ?
C26 C16 C22 121.8(4) . . ?
C19 C17 C24 110.0(3) . . ?
C19 C17 C23 107.2(3) . . ?
C24 C17 C23 114.1(3) . . ?
C19 C17 H17 108.5 . . ?
C24 C17 H17 108.5 . . ?
C23 C17 H17 108.5 . . ?
C24 C18 C13 111.0(3) . . ?
C24 C18 H18A 109.4 . . ?
C13 C18 H18A 109.4 . . ?
C24 C18 H18B 109.4 . . ?
C13 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C15 C19 C17 125.9(3) . . ?
C15 C19 H19 117.0 . . ?
C17 C19 H19 117.0 . . ?
O5 C20 H20A 109.5 . . ?
O5 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O5 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C29 C21 C16 122.3(4) . . ?
C29 C21 H21 118.9 . . ?
C16 C21 H21 118.9 . . ?
C16 C22 C12 112.9(3) . . ?
C16 C22 H22A 109.0 . . ?
C12 C22 H22A 109.0 . . ?
C16 C22 H22B 109.0 . . ?
C12 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C28 C23 C25 112.1(4) . . ?
C28 C23 C17 110.4(4) . . ?
C25 C23 C17 113.8(3) . . ?
C28 C23 H23 106.7 . . ?
C25 C23 H23 106.7 . . ?
C17 C23 H23 106.7 . . ?
C18 C24 C17 113.2(3) . . ?
C18 C24 H24A 108.9 . . ?
C17 C24 H24A 108.9 . . ?
C18 C24 H24B 108.9 . . ?
C17 C24 H24B 108.9 . . ?
H24A C24 H24B 107.7 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C30 C26 C16 121.0(4) . . ?
C30 C26 H26 119.5 . . ?
C16 C26 H26 119.5 . . ?
C29 C27 C30 119.2(4) . . ?
C29 C27 H27 120.4 . . ?
C30 C27 H27 120.4 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 C21 120.4(4) . . ?
C27 C29 H29 119.8 . . ?
C21 C29 H29 119.8 . . ?
C27 C30 C26 120.8(4) . . ?
C27 C30 H30 119.6 . . ?
C26 C30 H30 119.6 . . ?
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 C4 1.354(3) . ?
O1 C13 1.490(3) . ?
O2 C10 1.352(3) . ?
O2 H2 0.8200 . ?
C3 C4 1.412(4) . ?
C3 C10 1.416(4) . ?
C3 C8 1.465(4) . ?
C4 C7 1.370(4) . ?
O5 C9 1.359(4) . ?
O5 C20 1.428(4) . ?
O6 C8 1.239(3) . ?
C7 C9 1.386(4) . ?
C7 C14 1.500(4) . ?
C8 C12 1.495(4) . ?
C9 C11 1.384(4) . ?
C10 C11 1.374(5) . ?
C11 H11 0.9300 . ?
C12 C22 1.517(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C15 1.495(4) . ?
C13 C18 1.511(4) . ?
C13 C14 1.536(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C19 1.286(4) . ?
C15 H15 0.9300 . ?
C16 C21 1.378(5) . ?
C16 C26 1.396(5) . ?
C16 C22 1.490(5) . ?
C17 C19 1.506(5) . ?
C17 C24 1.510(5) . ?
C17 C23 1.580(6) . ?
C17 H17 0.9800 . ?
C18 C24 1.501(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C29 1.360(5) . ?
C21 H21 0.9300 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C28 1.476(7) . ?
C23 C25 1.518(6) . ?
C23 H23 0.9800 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C30 1.368(6) . ?
C26 H26 0.9300 . ?
C27 C29 1.359(6) . ?
C27 C30 1.362(7) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2 H2 O6 0.82 1.80 2.532(4) 147.1 .
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
C13 O1 C4 C7 11.6(3) . . . . ?
C13 O1 C4 C3 -169.3(2) . . . . ?
C10 C3 C4 O1 -178.4(2) . . . . ?
C8 C3 C4 O1 4.5(4) . . . . ?
C10 C3 C4 C7 0.5(4) . . . . ?
C8 C3 C4 C7 -176.6(3) . . . . ?
O1 C4 C7 C9 177.4(2) . . . . ?
C3 C4 C7 C9 -1.7(4) . . . . ?
O1 C4 C7 C14 -0.3(3) . . . . ?
C3 C4 C7 C14 -179.3(2) . . . . ?
C4 C3 C8 O6 -179.2(3) . . . . ?
C10 C3 C8 O6 3.9(5) . . . . ?
C4 C3 C8 C12 3.2(4) . . . . ?
C10 C3 C8 C12 -173.7(3) . . . . ?
C20 O5 C9 C11 1.9(5) . . . . ?
C20 O5 C9 C7 -178.2(3) . . . . ?
C4 C7 C9 O5 -178.1(2) . . . . ?
C14 C7 C9 O5 -1.0(5) . . . . ?
C4 C7 C9 C11 1.7(4) . . . . ?
C14 C7 C9 C11 178.8(3) . . . . ?
C4 C3 C10 O2 -178.9(3) . . . . ?
C8 C3 C10 O2 -1.6(4) . . . . ?
C4 C3 C10 C11 0.6(4) . . . . ?
C8 C3 C10 C11 177.8(3) . . . . ?
O2 C10 C11 C9 179.0(3) . . . . ?
C3 C10 C11 C9 -0.5(5) . . . . ?
O5 C9 C11 C10 179.1(3) . . . . ?
C7 C9 C11 C10 -0.7(5) . . . . ?
O6 C8 C12 C22 -2.0(5) . . . . ?
C3 C8 C12 C22 175.6(3) . . . . ?
C4 O1 C13 C15 -139.6(2) . . . . ?
C4 O1 C13 C18 102.3(2) . . . . ?
C4 O1 C13 C14 -17.6(3) . . . . ?
C4 C7 C14 C13 -10.5(3) . . . . ?
C9 C7 C14 C13 172.2(3) . . . . ?
O1 C13 C14 C7 16.5(3) . . . . ?
C15 C13 C14 C7 133.9(2) . . . . ?
C18 C13 C14 C7 -98.6(3) . . . . ?
O1 C13 C15 C19 -95.5(3) . . . . ?
C18 C13 C15 C19 19.8(4) . . . . ?
C14 C13 C15 C19 148.8(3) . . . . ?
O1 C13 C18 C24 68.3(3) . . . . ?
C15 C13 C18 C24 -47.9(3) . . . . ?
C14 C13 C18 C24 -177.5(3) . . . . ?
C13 C15 C19 C17 -0.6(5) . . . . ?
C24 C17 C19 C15 9.7(5) . . . . ?
C23 C17 C19 C15 134.3(4) . . . . ?
C26 C16 C21 C29 0.7(5) . . . . ?
C22 C16 C21 C29 -178.4(3) . . . . ?
C21 C16 C22 C12 -95.2(4) . . . . ?
C26 C16 C22 C12 85.7(4) . . . . ?
C8 C12 C22 C16 -174.0(3) . . . . ?
C19 C17 C23 C28 175.4(4) . . . . ?
C24 C17 C23 C28 -62.5(5) . . . . ?
C19 C17 C23 C25 -57.5(4) . . . . ?
C24 C17 C23 C25 64.6(5) . . . . ?
C13 C18 C24 C17 60.0(4) . . . . ?
C19 C17 C24 C18 -38.8(4) . . . . ?
C23 C17 C24 C18 -159.4(3) . . . . ?
C21 C16 C26 C30 -0.7(5) . . . . ?
C22 C16 C26 C30 178.4(3) . . . . ?
C30 C27 C29 C21 -1.8(6) . . . . ?
C16 C21 C29 C27 0.5(6) . . . . ?
C29 C27 C30 C26 1.8(7) . . . . ?
C16 C26 C30 C27 -0.6(6) . . . . ?
