#------------------------------------------------------------------------------
#$Date: 2022-04-01 10:33:24 +0300 (Fri, 01 Apr 2022) $
#$Revision: 274195 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/49/8104982.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_8104982
loop_
_publ_author_name
'Gao, Zhongjun'
'Zhang, Haifeng'
_publ_section_title
;
 Crystal structure of bis(μ3-oxido)-bis(μ2-2-formylbenzoato-k2
 O:O′)-bis(2-(dimethoxymethyl)-benzoato-\kO)-oktakismethyl-tetratin(IV)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              137
_journal_page_last               139
_journal_paper_doi               10.1515/ncrs-2021-0404
_journal_volume                  237
_journal_year                    2022
_chemical_formula_moiety         'C44 H56 O16 Sn4'
_chemical_formula_sum            'C44 H56 O16 Sn4'
_chemical_formula_weight         1315.64
_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
_cell_angle_alpha                109.954(17)
_cell_angle_beta                 98.165(16)
_cell_angle_gamma                102.862(12)
_cell_formula_units_Z            1
_cell_length_a                   9.129(7)
_cell_length_b                   11.826(9)
_cell_length_c                   13.612(17)
_cell_measurement_reflns_used    4032
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.11
_cell_measurement_theta_min      2.53
_cell_volume                     1308(2)
_computing_cell_refinement       'SAINT v7.23A (Bruker, 2003)[2]'
_computing_data_collection       'Bruker SMART[2]'
_computing_data_reduction        'SAINT v7.23A (Bruker, 2003)[2]'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)[1]'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)[1]'
_computing_structure_refinement  'XL (Sheldrick, 2008)[3]'
_computing_structure_solution    'XT (Sheldrick, 2015)[9]'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0144
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6793
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.049
_diffrn_reflns_theta_max         25.049
_diffrn_reflns_theta_min         1.639
_exptl_absorpt_coefficient_mu    1.950
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6519
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.656
_refine_diff_density_min         -0.500
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4589
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0360P)²+1.8515P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0806
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3838
_reflns_number_total             4589
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2021-0404_suppl.cif
_cod_data_source_block           1
_cod_database_code               8104982
_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_max   0.746
_shelx_estimated_absorpt_t_min   0.652
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C20(H20)
2.b Me refined with riding coordinates:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,
 H12C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C16(H16), C17(H17), C18(H18), C19(H19)
;
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.88529(3) 0.99072(3) 0.08214(2) 0.04000(10) Uani 1 1 d . . . . .
Sn2 Sn 1.02440(3) 0.71698(3) -0.02104(2) 0.04359(10) Uani 1 1 d . . . . .
O1 O 0.7318(4) 1.1180(3) 0.1449(3) 0.0596(9) Uani 1 1 d . . . . .
O2 O 0.4614(7) 1.0493(6) 0.3182(6) 0.153(3) Uani 1 1 d . . . . .
O3 O 1.0250(3) 0.8935(2) -0.0090(2) 0.0445(7) Uani 1 1 d . . . . .
O4 O 1.1201(4) 0.6936(3) -0.1694(3) 0.0592(8) Uani 1 1 d . . . . .
O5 O 0.9153(4) 0.7750(3) 0.1128(3) 0.0557(8) Uani 1 1 d . . . . .
O6 O 0.9044(5) 0.5892(3) 0.1209(3) 0.0688(10) Uani 1 1 d . . . . .
O7 O 1.1505(6) 0.7337(5) 0.3326(4) 0.1097(16) Uani 1 1 d . . . . .
O8 O 1.0526(6) 0.6514(5) 0.4526(3) 0.1003(15) Uani 1 1 d . . . . .
C1 C 0.7644(5) 1.2369(4) 0.1825(3) 0.0456(10) Uani 1 1 d . . . . .
C2 C 0.6610(5) 1.2969(4) 0.2451(3) 0.0456(10) Uani 1 1 d . . . . .
C3 C 0.5661(6) 1.2380(5) 0.2963(4) 0.0540(11) Uani 1 1 d . . . . .
C4 C 0.4659(6) 1.2981(6) 0.3476(4) 0.0693(15) Uani 1 1 d . . . . .
H4 H 0.401489 1.259245 0.381119 0.083 Uiso 1 1 calc R . . . .
C5 C 0.4623(7) 1.4131(6) 0.3486(5) 0.0794(17) Uani 1 1 d . . . . .
H5 H 0.396484 1.452812 0.383786 0.095 Uiso 1 1 calc R . . . .
C6 C 0.5555(7) 1.4710(5) 0.2978(5) 0.0768(17) Uani 1 1 d . . . . .
H6 H 0.551642 1.549126 0.298325 0.092 Uiso 1 1 calc R . . . .
C7 C 0.6547(6) 1.4130(4) 0.2461(4) 0.0593(12) Uani 1 1 d . . . . .
H7 H 0.717433 1.452261 0.211958 0.071 Uiso 1 1 calc R . . . .
C8 C 0.5670(8) 1.1150(6) 0.3028(5) 0.0834(18) Uani 1 1 d . . . . .
H8 H 0.654522 1.088256 0.294344 0.100 Uiso 1 1 calc R . . . .
C9 C 1.0244(6) 1.0656(5) 0.2391(4) 0.0641(13) Uani 1 1 d . . . . .
H9A H 0.987123 1.014532 0.277187 0.096 Uiso 1 1 calc R . . . .
H9B H 1.129223 1.066887 0.236336 0.096 Uiso 1 1 calc R . . . .
H9C H 1.020546 1.149765 0.275716 0.096 Uiso 1 1 calc R . . . .
C10 C 0.6696(5) 0.8668(5) -0.0155(4) 0.0612(13) Uani 1 1 d . . . . .
H10A H 0.627384 0.812472 0.018575 0.092 Uiso 1 1 calc R . . . .
H10B H 0.600237 0.914324 -0.025556 0.092 Uiso 1 1 calc R . . . .
H10C H 0.682926 0.817178 -0.084157 0.092 Uiso 1 1 calc R . . . .
C11 C 1.2415(6) 0.7310(5) 0.0670(4) 0.0682(14) Uani 1 1 d . . . . .
H11A H 1.245097 0.649069 0.062990 0.102 Uiso 1 1 calc R . . . .
H11B H 1.321519 0.764997 0.037368 0.102 Uiso 1 1 calc R . . . .
H11C H 1.256893 0.785379 0.140843 0.102 Uiso 1 1 calc R . . . .
C12 C 0.8248(6) 0.5784(4) -0.1294(4) 0.0615(13) Uani 1 1 d . . . . .
H12A H 0.829607 0.497026 -0.132359 0.092 Uiso 1 1 calc R . . . .
H12B H 0.734681 0.594394 -0.105439 0.092 Uiso 1 1 calc R . . . .
H12C H 0.819057 0.580522 -0.199640 0.092 Uiso 1 1 calc R . . . .
C13 C 0.8867(6) 0.6939(5) 0.1574(4) 0.0527(11) Uani 1 1 d . . . . .
C14 C 0.8254(6) 0.7387(5) 0.2570(4) 0.0597(13) Uani 1 1 d . . . . .
C15 C 0.8896(7) 0.7269(5) 0.3524(4) 0.0684(15) Uani 1 1 d . . . . .
C16 C 0.8312(9) 0.7708(6) 0.4419(5) 0.093(2) Uani 1 1 d . . . . .
H16 H 0.872501 0.764265 0.505623 0.111 Uiso 1 1 calc R . . . .
C17 C 0.7123(11) 0.8240(6) 0.4369(6) 0.116(3) Uani 1 1 d . . . . .
H17 H 0.675838 0.854764 0.498197 0.139 Uiso 1 1 calc R . . . .
C18 C 0.6452(11) 0.8329(7) 0.3427(7) 0.121(3) Uani 1 1 d . . . . .
H18 H 0.563175 0.867185 0.339926 0.145 Uiso 1 1 calc R . . . .
C19 C 0.7035(8) 0.7894(6) 0.2531(6) 0.089(2) Uani 1 1 d . . . . .
H19 H 0.659804 0.794378 0.189308 0.107 Uiso 1 1 calc R . . . .
C20 C 1.0212(7) 0.6663(6) 0.3545(5) 0.0772(16) Uani 1 1 d . . . . .
H20 H 0.984075 0.582057 0.297044 0.093 Uiso 1 1 calc R . . . .
C21 C 1.2145(11) 0.8570(8) 0.4048(7) 0.141(4) Uani 1 1 d . . . . .
H21A H 1.302022 0.896188 0.384097 0.212 Uiso 1 1 calc R . . . .
H21B H 1.138703 0.901724 0.404872 0.212 Uiso 1 1 calc R . . . .
H21C H 1.247148 0.858580 0.475634 0.212 Uiso 1 1 calc R . . . .
C22 C 1.1492(11) 0.5672(9) 0.4492(7) 0.137(3) Uani 1 1 d . . . . .
H22A H 1.168624 0.558921 0.517217 0.205 Uiso 1 1 calc R . . . .
H22B H 1.096623 0.486113 0.393378 0.205 Uiso 1 1 calc R . . . .
H22C H 1.245553 0.601399 0.434744 0.205 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 0.0033 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'
Sn Sn -0.6537 1.4246 '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
O3 Sn1 O1 164.46(11) . .
O3 Sn1 O1 89.62(12) 2_775 .
O3 Sn1 O3 76.36(13) 2_775 .
O3 Sn1 C9 106.06(18) 2_775 .
O3 Sn1 C10 109.33(18) 2_775 .
C9 Sn1 O1 88.29(18) . .
C9 Sn1 O3 101.86(18) . .
C9 Sn1 C10 143.0(2) . .
C10 Sn1 O1 81.68(18) . .
C10 Sn1 O3 96.50(18) . .
O3 Sn2 O4 88.42(11) . .
O3 Sn2 O5 78.65(11) . .
O3 Sn2 C11 107.33(18) . .
O3 Sn2 C12 112.46(17) . .
O5 Sn2 O4 166.20(12) . .
C11 Sn2 O4 89.97(19) . .
C11 Sn2 O5 98.4(2) . .
C11 Sn2 C12 139.6(2) . .
C12 Sn2 O4 84.76(18) . .
C12 Sn2 O5 95.69(19) . .
C1 O1 Sn1 129.5(3) . .
Sn1 O3 Sn1 103.64(13) 2_775 .
Sn2 O3 Sn1 134.66(14) . 2_775
Sn2 O3 Sn1 121.23(13) . .
C1 O4 Sn2 129.9(3) 2_775 .
C13 O5 Sn2 113.8(3) . .
C21 O7 C20 114.9(6) . .
C20 O8 C22 111.4(5) . .
O1 C1 C2 118.4(4) . .
O4 C1 O1 122.9(4) 2_775 .
O4 C1 C2 118.7(4) 2_775 .
C3 C2 C1 123.0(4) . .
C7 C2 C1 117.2(4) . .
C7 C2 C3 119.6(4) . .
C2 C3 C4 119.1(5) . .
C2 C3 C8 124.0(4) . .
C4 C3 C8 116.8(5) . .
C3 C4 H4 119.8 . .
C5 C4 C3 120.4(5) . .
C5 C4 H4 119.8 . .
C4 C5 H5 119.8 . .
C4 C5 C6 120.5(5) . .
C6 C5 H5 119.8 . .
C5 C6 H6 120.0 . .
C5 C6 C7 120.0(5) . .
C7 C6 H6 120.0 . .
C2 C7 C6 120.3(5) . .
C2 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
O2 C8 C3 123.2(6) . .
O2 C8 H8 118.4 . .
C3 C8 H8 118.4 . .
Sn1 C9 H9A 109.5 . .
Sn1 C9 H9B 109.5 . .
Sn1 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Sn1 C10 H10A 109.5 . .
Sn1 C10 H10B 109.5 . .
Sn1 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Sn2 C11 H11A 109.5 . .
Sn2 C11 H11B 109.5 . .
Sn2 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Sn2 C12 H12A 109.5 . .
Sn2 C12 H12B 109.5 . .
Sn2 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O5 C13 C14 114.2(4) . .
O6 C13 O5 123.1(4) . .
O6 C13 C14 122.7(4) . .
C15 C14 C13 120.7(5) . .
C19 C14 C13 119.2(5) . .
C19 C14 C15 120.1(5) . .
C14 C15 C20 119.6(5) . .
C16 C15 C14 118.7(6) . .
C16 C15 C20 121.7(6) . .
C15 C16 H16 119.9 . .
C17 C16 C15 120.1(6) . .
C17 C16 H16 119.9 . .
C16 C17 H17 119.1 . .
C16 C17 C18 121.7(6) . .
C18 C17 H17 119.1 . .
C17 C18 H18 120.8 . .
C19 C18 C17 118.3(7) . .
C19 C18 H18 120.8 . .
C14 C19 C18 121.0(6) . .
C14 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
O7 C20 O8 113.9(5) . .
O7 C20 C15 111.3(5) . .
O7 C20 H20 107.5 . .
O8 C20 C15 109.0(5) . .
O8 C20 H20 107.5 . .
C15 C20 H20 107.5 . .
O7 C21 H21A 109.5 . .
O7 C21 H21B 109.5 . .
O7 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
O8 C22 H22A 109.5 . .
O8 C22 H22B 109.5 . .
O8 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O1 2.315(3) .
Sn1 O3 2.049(3) 2_775
Sn1 O3 2.149(3) .
Sn1 C9 2.098(5) .
Sn1 C10 2.106(5) .
Sn2 O3 2.036(3) .
Sn2 O4 2.269(4) .
Sn2 O5 2.179(3) .
Sn2 C11 2.106(5) .
Sn2 C12 2.107(5) .
O1 C1 1.268(5) .
O2 C8 1.188(7) .
O4 C1 1.259(5) 2_775
O5 C13 1.299(5) .
O6 C13 1.224(6) .
O7 C20 1.400(7) .
O7 C21 1.383(9) .
O8 C20 1.404(7) .
O8 C22 1.464(9) .
C1 C2 1.494(6) .
C2 C3 1.399(6) .
C2 C7 1.382(7) .
C3 C4 1.400(7) .
C3 C8 1.489(8) .
C4 H4 0.9300 .
C4 C5 1.364(8) .
C5 H5 0.9300 .
C5 C6 1.378(9) .
C6 H6 0.9300 .
C6 C7 1.384(7) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.513(6) .
C14 C15 1.412(7) .
C14 C19 1.379(8) .
C15 C16 1.384(8) .
C15 C20 1.531(8) .
C16 H16 0.9300 .
C16 C17 1.376(10) .
C17 H17 0.9300 .
C17 C18 1.388(11) .
C18 H18 0.9300 .
C18 C19 1.383(8) .
C19 H19 0.9300 .
C20 H20 0.9800 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Sn1 O1 C1 O4 16.8(7) . . . 2_775
Sn1 O1 C1 C2 -163.2(3) . . . .
Sn2 O5 C13 O6 -7.2(7) . . . .
Sn2 O5 C13 C14 174.4(3) . . . .
O1 C1 C2 C3 23.1(7) . . . .
O1 C1 C2 C7 -153.2(5) . . . .
O4 C1 C2 C3 -156.9(4) 2_775 . . .
O4 C1 C2 C7 26.8(6) 2_775 . . .
O5 C13 C14 C15 -131.5(5) . . . .
O5 C13 C14 C19 49.7(7) . . . .
O6 C13 C14 C15 50.0(8) . . . .
O6 C13 C14 C19 -128.8(6) . . . .
C1 C2 C3 C4 -176.1(4) . . . .
C1 C2 C3 C8 5.6(8) . . . .
C1 C2 C7 C6 176.7(5) . . . .
C2 C3 C4 C5 -0.7(8) . . . .
C2 C3 C8 O2 -158.2(7) . . . .
C3 C2 C7 C6 0.2(8) . . . .
C3 C4 C5 C6 1.0(9) . . . .
C4 C3 C8 O2 23.5(10) . . . .
C4 C5 C6 C7 -0.6(10) . . . .
C5 C6 C7 C2 0.0(9) . . . .
C7 C2 C3 C4 0.2(7) . . . .
C7 C2 C3 C8 -178.1(5) . . . .
C8 C3 C4 C5 177.7(6) . . . .
C13 C14 C15 C16 179.1(5) . . . .
C13 C14 C15 C20 -0.9(8) . . . .
C13 C14 C19 C18 -179.2(6) . . . .
C14 C15 C16 C17 0.4(10) . . . .
C14 C15 C20 O7 60.6(7) . . . .
C14 C15 C20 O8 -173.0(5) . . . .
C15 C14 C19 C18 2.0(10) . . . .
C15 C16 C17 C18 1.5(12) . . . .
C16 C15 C20 O7 -119.5(6) . . . .
C16 C15 C20 O8 7.0(8) . . . .
C16 C17 C18 C19 -1.6(12) . . . .
C17 C18 C19 C14 -0.2(11) . . . .
C19 C14 C15 C16 -2.1(8) . . . .
C19 C14 C15 C20 177.9(5) . . . .
C20 C15 C16 C17 -179.6(6) . . . .
C21 O7 C20 O8 -63.1(9) . . . .
C21 O7 C20 C15 60.6(8) . . . .
C22 O8 C20 O7 -69.0(8) . . . .
C22 O8 C20 C15 166.1(6) . . . .
