#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:45:54 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180154 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/50/7105093.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_7105093
loop_
_publ_author_name
'Eric A. Allart'
'Steven D. R. Christie'
'Gareth J. Pritchard'
'Mark R. J. Elsegood'
_publ_section_title
;
 Preparation of highly substituted tetrahydropyrans via a metal
 assisted dipolar cycloaddition reaction
;
_journal_name_full               'Chem. Commun.'
_journal_page_first              7339
_journal_page_last               7341
_journal_paper_doi               10.1039/b917332c
_journal_year                    2009
_chemical_formula_moiety         'C27 H20 Co2 O12'
_chemical_formula_sum            'C27 H20 Co2 O12'
_chemical_formula_weight         654.29
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.5335(8)
_cell_angle_beta                 102.7961(9)
_cell_angle_gamma                91.9661(9)
_cell_formula_units_Z            2
_cell_length_a                   8.0886(5)
_cell_length_b                   11.7239(7)
_cell_length_c                   15.7788(9)
_cell_measurement_reflns_used    6766
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.37
_cell_measurement_theta_min      2.60
_cell_volume                     1391.20(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX 2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.900
_diffrn_measurement_device_type  'Bruker APEX 2 CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0176
_diffrn_reflns_av_sigmaI/netI    0.0287
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16756
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         31.85
_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.255
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.556
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2004/1, Sheldrick, G.M., (2004)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.434
_refine_diff_density_min         -0.274
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         8572
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0377P)²+0.3533P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0807
_reflns_number_gt                6949
_reflns_number_total             8572
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b917332c.txt
_cod_data_source_block           18
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105093
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
Co1 Co 0.17853(3) 0.613819(18) 0.359208(13) 0.02330(5) Uani 1 1 d . . .
Co2 Co 0.47441(3) 0.711231(18) 0.412678(13) 0.02359(6) Uani 1 1 d . . .
C1 C 0.27912(18) 0.74700(13) 0.32769(10) 0.0222(3) Uani 1 1 d . . .
C2 C 0.33603(18) 0.64378(13) 0.28790(9) 0.0211(3) Uani 1 1 d . . .
C3 C 0.22940(19) 0.85987(13) 0.31261(10) 0.0249(3) Uani 1 1 d . . .
C4 C 0.1552(2) 0.93972(15) 0.37349(12) 0.0340(4) Uani 1 1 d . . .
H4 H 0.1344 0.9208 0.4251 0.041 Uiso 1 1 calc R . .
C5 C 0.1116(3) 1.04751(16) 0.35829(15) 0.0484(5) Uani 1 1 d . . .
H5 H 0.0614 1.1021 0.3999 0.058 Uiso 1 1 calc R . .
C6 C 0.1408(3) 1.07552(16) 0.28356(16) 0.0524(6) Uani 1 1 d . . .
H6 H 0.1091 1.1487 0.2734 0.063 Uiso 1 1 calc R . .
C7 C 0.2156(3) 0.99785(17) 0.22349(15) 0.0461(5) Uani 1 1 d . . .
H7 H 0.2367 1.0179 0.1723 0.055 Uiso 1 1 calc R . .
C8 C 0.2603(2) 0.89034(15) 0.23765(12) 0.0337(4) Uani 1 1 d . . .
H8 H 0.3122 0.8371 0.1961 0.040 Uiso 1 1 calc R . .
C9 C 0.36664(18) 0.57198(12) 0.19950(9) 0.0203(3) Uani 1 1 d . . .
H9 H 0.4633 0.6139 0.1863 0.024 Uiso 1 1 calc R . .
C10 C 0.20920(19) 0.55464(13) 0.12172(9) 0.0234(3) Uani 1 1 d . . .
H10A H 0.1835 0.6331 0.1130 0.028 Uiso 1 1 calc R . .
H10B H 0.1102 0.5206 0.1372 0.028 Uiso 1 1 calc R . .
C11 C 0.23765(18) 0.47094(13) 0.03367(9) 0.0215(3) Uani 1 1 d . . .
H11A H 0.3264 0.5098 0.0138 0.026 Uiso 1 1 calc R . .
H11B H 0.1308 0.4549 -0.0147 0.026 Uiso 1 1 calc R . .
C12 C 0.29395(17) 0.35137(12) 0.04776(9) 0.0181(2) Uani 1 1 d . . .
C13 C 0.45313(17) 0.38334(12) 0.12891(9) 0.0188(2) Uani 1 1 d . . .
H13 H 0.5433 0.4286 0.1133 0.023 Uiso 1 1 calc R . .
O1 O 0.41297(13) 0.45811(9) 0.20874(6) 0.02058(19) Uani 1 1 d . . .
C14 C 0.34120(17) 0.28497(12) -0.04011(9) 0.0193(2) Uani 1 1 d . . .
O2 O 0.47038(14) 0.31016(10) -0.05948(7) 0.0272(2) Uani 1 1 d . . .
O3 O 0.21763(14) 0.20272(10) -0.09536(7) 0.0285(2) Uani 1 1 d . . .
C15 C 0.2406(2) 0.15080(16) -0.18663(11) 0.0358(4) Uani 1 1 d . . .
H15A H 0.2379 0.2128 -0.2174 0.054 Uiso 1 1 calc R . .
H15B H 0.1487 0.0869 -0.2211 0.054 Uiso 1 1 calc R . .
H15C H 0.3506 0.1177 -0.1831 0.054 Uiso 1 1 calc R . .
C16 C 0.15326(18) 0.27764(14) 0.06620(10) 0.0228(3) Uani 1 1 d . . .
O4 O 0.17719(15) 0.20783(13) 0.10882(10) 0.0408(3) Uani 1 1 d . . .
O5 O -0.00167(13) 0.30159(11) 0.02895(8) 0.0304(2) Uani 1 1 d . . .
C17 C -0.1414(2) 0.2318(2) 0.04042(14) 0.0427(5) Uani 1 1 d . . .
H17A H -0.1324 0.1465 0.0141 0.064 Uiso 1 1 calc R . .
H17B H -0.2497 0.2528 0.0095 0.064 Uiso 1 1 calc R . .
H17C H -0.1367 0.2489 0.1055 0.064 Uiso 1 1 calc R . .
C18 C 0.52692(18) 0.27966(13) 0.15444(9) 0.0211(3) Uani 1 1 d . . .
C19 C 0.6048(2) 0.26480(15) 0.23472(11) 0.0338(4) Uani 1 1 d . . .
H19 H 0.6250 0.3225 0.2930 0.041 Uiso 1 1 calc R . .
C20 C 0.6509(2) 0.14538(16) 0.21504(11) 0.0349(4) Uani 1 1 d . . .
H20 H 0.7075 0.1080 0.2578 0.042 Uiso 1 1 calc R . .
C21 C 0.5991(2) 0.09598(14) 0.12444(11) 0.0286(3) Uani 1 1 d . . .
H21 H 0.6131 0.0164 0.0924 0.034 Uiso 1 1 calc R . .
O6 O 0.52275(13) 0.17734(9) 0.08480(7) 0.0236(2) Uani 1 1 d . . .
C22 C 0.2214(2) 0.46000(15) 0.35496(11) 0.0330(3) Uani 1 1 d . . .
O22 O 0.2525(2) 0.36643(11) 0.35316(10) 0.0510(4) Uani 1 1 d . . .
C23 C 0.1114(2) 0.66901(16) 0.46465(13) 0.0356(4) Uani 1 1 d . . .
O23 O 0.0693(2) 0.70113(14) 0.53089(10) 0.0553(4) Uani 1 1 d . . .
C24 C -0.0278(2) 0.58860(16) 0.28227(13) 0.0363(4) Uani 1 1 d . . .
O24 O -0.15888(18) 0.57394(15) 0.23409(11) 0.0564(4) Uani 1 1 d . . .
C25 C 0.4580(2) 0.80327(17) 0.52444(11) 0.0354(4) Uani 1 1 d . . .
O25 O 0.4394(2) 0.86360(16) 0.59099(9) 0.0583(4) Uani 1 1 d . . .
C26 C 0.5931(2) 0.58608(17) 0.42687(11) 0.0378(4) Uani 1 1 d . . .
O26 O 0.6674(2) 0.50741(14) 0.43219(10) 0.0596(5) Uani 1 1 d . . .
C27 C 0.6379(2) 0.80649(17) 0.39916(11) 0.0348(4) Uani 1 1 d . . .
O27 O 0.7388(2) 0.86880(16) 0.39044(10) 0.0602(4) Uani 1 1 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'
Co Co 0.3494 0.9721 '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
C24 Co1 C23 97.80(8) . . ?
C24 Co1 C22 100.95(8) . . ?
C23 Co1 C22 103.51(8) . . ?
C24 Co1 C2 104.47(7) . . ?
C23 Co1 C2 145.23(7) . . ?
C22 Co1 C2 98.11(7) . . ?
C24 Co1 C1 99.55(7) . . ?
C23 Co1 C1 110.55(7) . . ?
C22 Co1 C1 137.05(7) . . ?
C2 Co1 C1 39.97(6) . . ?
C24 Co1 Co2 150.22(6) . . ?
C23 Co1 Co2 98.52(6) . . ?
C22 Co1 Co2 99.22(6) . . ?
C2 Co1 Co2 50.82(4) . . ?
C1 Co1 Co2 51.25(4) . . ?
C27 Co2 C26 100.03(9) . . ?
C27 Co2 C25 97.18(8) . . ?
C26 Co2 C25 108.61(8) . . ?
C27 Co2 C2 102.59(7) . . ?
C26 Co2 C2 101.05(7) . . ?
C25 Co2 C2 140.64(7) . . ?
C27 Co2 C1 98.52(7) . . ?
C26 Co2 C1 139.91(7) . . ?
C25 Co2 C1 103.89(7) . . ?
C2 Co2 C1 39.95(6) . . ?
C27 Co2 Co1 148.81(6) . . ?
C26 Co2 Co1 101.22(6) . . ?
C25 Co2 Co1 97.37(6) . . ?
C2 Co2 Co1 50.91(4) . . ?
C1 Co2 Co1 51.11(4) . . ?
C2 C1 C3 142.12(14) . . ?
C2 C1 Co1 69.61(9) . . ?
C3 C1 Co1 137.71(11) . . ?
C2 C1 Co2 69.36(8) . . ?
C3 C1 Co2 131.57(10) . . ?
Co1 C1 Co2 77.64(5) . . ?
C1 C2 C9 142.12(13) . . ?
C1 C2 Co2 70.69(9) . . ?
C9 C2 Co2 135.73(10) . . ?
C1 C2 Co1 70.42(9) . . ?
C9 C2 Co1 131.91(10) . . ?
Co2 C2 Co1 78.27(5) . . ?
C4 C3 C8 119.03(15) . . ?
C4 C3 C1 120.90(14) . . ?
C8 C3 C1 120.05(14) . . ?
C3 C4 C5 119.72(18) . . ?
C6 C5 C4 120.57(19) . . ?
C5 C6 C7 120.20(17) . . ?
C6 C7 C8 120.03(19) . . ?
C7 C8 C3 120.45(18) . . ?
O1 C9 C2 107.64(10) . . ?
O1 C9 C10 110.20(11) . . ?
C2 C9 C10 111.54(11) . . ?
C9 C10 C11 110.62(11) . . ?
C10 C11 C12 110.68(11) . . ?
C14 C12 C16 110.98(11) . . ?
C14 C12 C11 104.87(10) . . ?
C16 C12 C11 112.66(11) . . ?
C14 C12 C13 110.53(10) . . ?
C16 C12 C13 110.72(11) . . ?
C11 C12 C13 106.87(11) . . ?
O1 C13 C18 106.01(10) . . ?
O1 C13 C12 110.33(10) . . ?
C18 C13 C12 115.42(11) . . ?
C13 O1 C9 112.57(10) . . ?
O2 C14 O3 124.15(13) . . ?
O2 C14 C12 123.63(12) . . ?
O3 C14 C12 112.03(11) . . ?
C14 O3 C15 114.99(12) . . ?
O4 C16 O5 123.60(13) . . ?
O4 C16 C12 124.89(13) . . ?
O5 C16 C12 111.50(12) . . ?
C16 O5 C17 114.70(13) . . ?
C19 C18 O6 110.23(13) . . ?
C19 C18 C13 132.82(13) . . ?
O6 C18 C13 116.92(11) . . ?
C18 C19 C20 106.52(14) . . ?
C21 C20 C19 106.81(14) . . ?
C20 C21 O6 110.07(14) . . ?
C18 O6 C21 106.36(11) . . ?
O22 C22 Co1 178.08(18) . . ?
O23 C23 Co1 178.50(17) . . ?
O24 C24 Co1 179.2(2) . . ?
O25 C25 Co2 175.51(17) . . ?
O26 C26 Co2 177.24(16) . . ?
O27 C27 Co2 178.36(19) . . ?
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
Co1 C24 1.7919(19) . ?
Co1 C23 1.8145(17) . ?
Co1 C22 1.8333(17) . ?
Co1 C2 1.9599(14) . ?
Co1 C1 1.9701(14) . ?
Co1 Co2 2.4725(3) . ?
Co2 C27 1.7892(19) . ?
Co2 C26 1.8203(18) . ?
Co2 C25 1.8226(17) . ?
Co2 C2 1.9574(14) . ?
Co2 C1 1.9740(14) . ?
C1 C2 1.343(2) . ?
C1 C3 1.464(2) . ?
C2 C9 1.4881(19) . ?
C3 C4 1.393(2) . ?
C3 C8 1.398(2) . ?
C4 C5 1.394(2) . ?
C5 C6 1.375(3) . ?
C6 C7 1.377(3) . ?
C7 C8 1.388(2) . ?
C9 O1 1.4369(16) . ?
C9 C10 1.5222(19) . ?
C10 C11 1.5256(19) . ?
C11 C12 1.5487(19) . ?
C12 C14 1.5216(18) . ?
C12 C16 1.5327(19) . ?
C12 C13 1.5495(18) . ?
C13 O1 1.4259(16) . ?
C13 C18 1.4893(19) . ?
C14 O2 1.2017(17) . ?
C14 O3 1.3260(17) . ?
O3 C15 1.4512(19) . ?
C16 O4 1.1942(18) . ?
C16 O5 1.3367(17) . ?
O5 C17 1.4457(19) . ?
C18 C19 1.346(2) . ?
C18 O6 1.3704(17) . ?
C19 C20 1.427(2) . ?
C20 C21 1.342(2) . ?
C21 O6 1.3753(18) . ?
C22 O22 1.128(2) . ?
C23 O23 1.137(2) . ?
C24 O24 1.135(2) . ?
C25 O25 1.131(2) . ?
C26 O26 1.131(2) . ?
C27 O27 1.133(2) . ?
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
C24 Co1 Co2 C27 -2.28(17) . . . . ?
C23 Co1 Co2 C27 -124.83(13) . . . . ?
C22 Co1 Co2 C27 129.88(12) . . . . ?
C2 Co1 Co2 C27 36.89(12) . . . . ?
C1 Co1 Co2 C27 -15.26(12) . . . . ?
C24 Co1 Co2 C26 -134.38(13) . . . . ?
C23 Co1 Co2 C26 103.07(8) . . . . ?
C22 Co1 Co2 C26 -2.22(7) . . . . ?
C2 Co1 Co2 C26 -95.21(8) . . . . ?
C1 Co1 Co2 C26 -147.36(8) . . . . ?
C24 Co1 Co2 C25 114.92(13) . . . . ?
C23 Co1 Co2 C25 -7.64(8) . . . . ?
C22 Co1 Co2 C25 -112.93(8) . . . . ?
C2 Co1 Co2 C25 154.09(8) . . . . ?
C1 Co1 Co2 C25 101.93(8) . . . . ?
C24 Co1 Co2 C2 -39.17(13) . . . . ?
C23 Co1 Co2 C2 -161.72(8) . . . . ?
C22 Co1 Co2 C2 92.99(7) . . . . ?
C1 Co1 Co2 C2 -52.15(7) . . . . ?
C24 Co1 Co2 C1 12.98(13) . . . . ?
C23 Co1 Co2 C1 -109.57(8) . . . . ?
C22 Co1 Co2 C1 145.14(7) . . . . ?
C2 Co1 Co2 C1 52.15(7) . . . . ?
C24 Co1 C1 C2 -101.18(10) . . . . ?
C23 Co1 C1 C2 156.70(10) . . . . ?
C22 Co1 C1 C2 16.43(14) . . . . ?
Co2 Co1 C1 C2 72.33(8) . . . . ?
C24 Co1 C1 C3 46.26(17) . . . . ?
C23 Co1 C1 C3 -55.87(17) . . . . ?
C22 Co1 C1 C3 163.86(14) . . . . ?
C2 Co1 C1 C3 147.4(2) . . . . ?
Co2 Co1 C1 C3 -140.24(17) . . . . ?
C24 Co1 C1 Co2 -173.50(7) . . . . ?
C23 Co1 C1 Co2 84.37(8) . . . . ?
C22 Co1 C1 Co2 -55.90(11) . . . . ?
C2 Co1 C1 Co2 -72.33(8) . . . . ?
C27 Co2 C1 C2 99.46(10) . . . . ?
C26 Co2 C1 C2 -17.38(15) . . . . ?
C25 Co2 C1 C2 -160.91(10) . . . . ?
Co1 Co2 C1 C2 -72.62(8) . . . . ?
C27 Co2 C1 C3 -43.04(15) . . . . ?
C26 Co2 C1 C3 -159.88(15) . . . . ?
C25 Co2 C1 C3 56.60(16) . . . . ?
C2 Co2 C1 C3 -142.49(19) . . . . ?
Co1 Co2 C1 C3 144.88(16) . . . . ?
C27 Co2 C1 Co1 172.08(6) . . . . ?
C26 Co2 C1 Co1 55.24(12) . . . . ?
C25 Co2 C1 Co1 -88.29(7) . . . . ?
C2 Co2 C1 Co1 72.62(8) . . . . ?
C3 C1 C2 C9 -9.6(4) . . . . ?
Co1 C1 C2 C9 134.2(2) . . . . ?
Co2 C1 C2 C9 -141.7(2) . . . . ?
C3 C1 C2 Co2 132.1(2) . . . . ?
Co1 C1 C2 Co2 -84.03(4) . . . . ?
C3 C1 C2 Co1 -143.9(2) . . . . ?
Co2 C1 C2 Co1 84.03(4) . . . . ?
C27 Co2 C2 C1 -88.27(10) . . . . ?
C26 Co2 C2 C1 168.69(10) . . . . ?
C25 Co2 C2 C1 30.04(15) . . . . ?
Co1 Co2 C2 C1 73.15(8) . . . . ?
C27 Co2 C2 C9 58.72(16) . . . . ?
C26 Co2 C2 C9 -44.31(16) . . . . ?
C25 Co2 C2 C9 177.04(14) . . . . ?
C1 Co2 C2 C9 147.00(19) . . . . ?
Co1 Co2 C2 C9 -139.85(17) . . . . ?
C27 Co2 C2 Co1 -161.42(7) . . . . ?
C26 Co2 C2 Co1 95.54(7) . . . . ?
C25 Co2 C2 Co1 -43.11(12) . . . . ?
C1 Co2 C2 Co1 -73.15(8) . . . . ?
C24 Co1 C2 C1 87.64(10) . . . . ?
C23 Co1 C2 C1 -40.51(16) . . . . ?
C22 Co1 C2 C1 -168.77(10) . . . . ?
Co2 Co1 C2 C1 -73.46(8) . . . . ?
C24 Co1 C2 C9 -56.12(14) . . . . ?
C23 Co1 C2 C9 175.74(13) . . . . ?
C22 Co1 C2 C9 47.47(14) . . . . ?
C1 Co1 C2 C9 -143.75(17) . . . . ?
Co2 Co1 C2 C9 142.79(15) . . . . ?
C24 Co1 C2 Co2 161.10(7) . . . . ?
C23 Co1 C2 Co2 32.95(14) . . . . ?
C22 Co1 C2 Co2 -95.31(7) . . . . ?
C1 Co1 C2 Co2 73.46(8) . . . . ?
C2 C1 C3 C4 172.05(19) . . . . ?
Co1 C1 C3 C4 47.3(2) . . . . ?
Co2 C1 C3 C4 -76.07(19) . . . . ?
C2 C1 C3 C8 -9.7(3) . . . . ?
Co1 C1 C3 C8 -134.41(15) . . . . ?
Co2 C1 C3 C8 102.22(17) . . . . ?
C8 C3 C4 C5 0.6(2) . . . . ?
C1 C3 C4 C5 178.95(15) . . . . ?
C3 C4 C5 C6 0.2(3) . . . . ?
C4 C5 C6 C7 -0.9(3) . . . . ?
C5 C6 C7 C8 0.7(3) . . . . ?
C6 C7 C8 C3 0.2(3) . . . . ?
C4 C3 C8 C7 -0.8(2) . . . . ?
C1 C3 C8 C7 -179.15(15) . . . . ?
C1 C2 C9 O1 -172.76(19) . . . . ?
Co2 C2 C9 O1 64.08(17) . . . . ?
Co1 C2 C9 O1 -57.89(16) . . . . ?
C1 C2 C9 C10 -51.8(3) . . . . ?
Co2 C2 C9 C10 -174.92(11) . . . . ?
Co1 C2 C9 C10 63.11(16) . . . . ?
O1 C9 C10 C11 -55.01(15) . . . . ?
C2 C9 C10 C11 -174.51(12) . . . . ?
C9 C10 C11 C12 54.14(15) . . . . ?
C10 C11 C12 C14 -172.32(11) . . . . ?
C10 C11 C12 C16 66.87(15) . . . . ?
C10 C11 C12 C13 -54.95(14) . . . . ?
C14 C12 C13 O1 172.84(10) . . . . ?
C16 C12 C13 O1 -63.77(14) . . . . ?
C11 C12 C13 O1 59.26(13) . . . . ?
C14 C12 C13 C18 -67.04(14) . . . . ?
C16 C12 C13 C18 56.36(15) . . . . ?
C11 C12 C13 C18 179.39(11) . . . . ?
C18 C13 O1 C9 170.30(11) . . . . ?
C12 C13 O1 C9 -64.07(14) . . . . ?
C2 C9 O1 C13 -177.31(11) . . . . ?
C10 C9 O1 C13 60.85(14) . . . . ?
C16 C12 C14 O2 -163.02(13) . . . . ?
C11 C12 C14 O2 75.06(16) . . . . ?
C13 C12 C14 O2 -39.78(18) . . . . ?
C16 C12 C14 O3 21.83(15) . . . . ?
C11 C12 C14 O3 -100.09(13) . . . . ?
C13 C12 C14 O3 145.07(12) . . . . ?
O2 C14 O3 C15 -5.6(2) . . . . ?
C12 C14 O3 C15 169.49(12) . . . . ?
C14 C12 C16 O4 90.20(18) . . . . ?
C11 C12 C16 O4 -152.55(16) . . . . ?
C13 C12 C16 O4 -32.9(2) . . . . ?
C14 C12 C16 O5 -90.23(14) . . . . ?
C11 C12 C16 O5 27.02(16) . . . . ?
C13 C12 C16 O5 146.63(12) . . . . ?
O4 C16 O5 C17 -2.8(2) . . . . ?
C12 C16 O5 C17 177.67(14) . . . . ?
O1 C13 C18 C19 -23.7(2) . . . . ?
C12 C13 C18 C19 -146.12(17) . . . . ?
O1 C13 C18 O6 158.54(11) . . . . ?
C12 C13 C18 O6 36.08(17) . . . . ?
O6 C18 C19 C20 -0.7(2) . . . . ?
C13 C18 C19 C20 -178.65(15) . . . . ?
C18 C19 C20 C21 0.3(2) . . . . ?
C19 C20 C21 O6 0.2(2) . . . . ?
C19 C18 O6 C21 0.89(17) . . . . ?
C13 C18 O6 C21 179.17(12) . . . . ?
C20 C21 O6 C18 -0.69(18) . . . . ?
