#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/37/4023714.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_4023714
loop_
_publ_author_name
'Catelijne H. M. Amijs'
'Verónica López-Carrillo'
'Mihai Raducan'
'Patricia Pérez-Galán'
'Catalina Ferrer'
'Antonio M. Echavarren'
_publ_section_title
;
 Gold(I)-Catalyzed Intermolecular Addition of Carbon
 Nucleophiles to 1,5- and 1,6-Enynes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7721
_journal_page_last               7730
_journal_paper_doi               10.1021/jo8014769
_journal_volume                  73
_journal_year                    2008
_chemical_formula_sum            'C32.5 H31 Cl O6'
_chemical_formula_weight         553.02
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.100(2)
_cell_angle_beta                 110.678(2)
_cell_angle_gamma                107.991(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8034(4)
_cell_length_b                   11.8187(4)
_cell_length_c                   12.4275(4)
_cell_measurement_reflns_used    8141
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1403.31(8)
_computing_cell_refinement       'Bruker-Nonius Apex v1.0-22 2002'
_computing_data_collection       'Bruker-Nonius Apex v1.0-22 2002'
_computing_data_reduction        'SAINT+ Version 7.06A Bruker-Nonius, 2004'
_computing_molecular_graphics    'Shelxtl Version 6.12 (Sheldrick, 2001)'
_computing_publication_material  'Shelxtl Version 6.12 (Sheldrick, 2001)'
_computing_structure_refinement  'Shelxtl Version 6.12 (Sheldrick, 2001)'
_computing_structure_solution    'Shelxtl Version 6.12 (Sheldrick, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.880
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32756
_diffrn_reflns_theta_full        39.20
_diffrn_reflns_theta_max         39.20
_diffrn_reflns_theta_min         2.78
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           90
_diffrn_source_power             50
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    0.180
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.710886
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
 SADABS Version 2.1 2003 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             582
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         14544
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0434
_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)+(0.0696P)²+0.2456P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1206
_refine_ls_wR_factor_ref         0.1286
_reflns_number_gt                12133
_reflns_number_total             14544
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo8014769_si_002.cif
_cod_data_source_block           ca279p-1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_formula_sum        'C32.50 H31 Cl O6'
_cod_database_code               4023714
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 0.85090(5) 0.38802(5) 0.31909(4) 0.01613(8) Uani 1 1 d . . .
C1 C 0.83517(6) 0.35732(6) 0.19952(5) 0.01345(9) Uani 1 1 d . . .
O2 O 0.66440(6) 0.37585(7) -0.08463(5) 0.02292(11) Uani 1 1 d . . .
C2 C 0.72486(6) 0.34199(6) 0.10056(5) 0.01356(9) Uani 1 1 d . . .
O3 O 0.55597(6) 0.06961(6) 0.38601(6) 0.02148(10) Uani 1 1 d . . .
C3 C 0.61535(6) 0.37195(6) 0.11930(6) 0.01404(9) Uani 1 1 d . . .
H3 H 0.6322 0.4611 0.1218 0.017 Uiso 1 1 calc R . .
C4 C 0.62589(6) 0.37698(6) 0.24742(5) 0.01348(9) Uani 1 1 d . . .
H4 H 0.5743 0.4239 0.2695 0.016 Uiso 1 1 calc R . .
O4 O 0.78156(6) 0.18334(7) 0.47595(7) 0.02778(12) Uani 1 1 d . . .
O5 O 0.58158(5) 0.32039(6) 0.56765(4) 0.01788(9) Uani 1 1 d . . .
C5 C 0.57493(6) 0.24534(6) 0.25615(5) 0.01470(9) Uani 1 1 d . . .
H5A H 0.6072 0.1871 0.2165 0.018 Uiso 1 1 calc R . .
H5B H 0.4750 0.2010 0.2146 0.018 Uiso 1 1 calc R . .
C6 C 0.63643(6) 0.28344(6) 0.40068(5) 0.01380(9) Uani 1 1 d . . .
O6 O 0.43617(7) 0.30894(8) 0.38583(6) 0.02980(14) Uani 1 1 d . . .
C7 C 0.76324(6) 0.41750(7) 0.46310(6) 0.01610(10) Uani 1 1 d . . .
H7A H 0.7533 0.4859 0.5195 0.019 Uiso 1 1 calc R . .
H7B H 0.8456 0.4113 0.5133 0.019 Uiso 1 1 calc R . .
C8 C 0.77170(6) 0.44952(6) 0.35386(6) 0.01447(9) Uani 1 1 d . . .
C9 C 0.95663(6) 0.34729(6) 0.19795(5) 0.01372(9) Uani 1 1 d . . .
C10 C 1.00895(7) 0.27586(7) 0.25716(6) 0.01620(10) Uani 1 1 d . . .
H10 H 0.9658 0.2334 0.2968 0.019 Uiso 1 1 calc R . .
C11 C 1.12403(7) 0.26706(7) 0.25801(7) 0.01974(11) Uani 1 1 d . . .
H11 H 1.1596 0.2189 0.2986 0.024 Uiso 1 1 calc R . .
C12 C 1.18724(7) 0.32861(8) 0.19954(7) 0.02219(13) Uani 1 1 d . . .
H12 H 1.2644 0.3205 0.1983 0.027 Uiso 1 1 calc R . .
C13 C 1.13733(7) 0.40203(8) 0.14295(7) 0.02189(12) Uani 1 1 d . . .
H13 H 1.1811 0.4450 0.1040 0.026 Uiso 1 1 calc R . .
C14 C 1.02310(7) 0.41243(7) 0.14343(6) 0.01760(10) Uani 1 1 d . . .
H14 H 0.9904 0.4642 0.1064 0.021 Uiso 1 1 calc R . .
C15 C 0.71308(6) 0.31764(7) -0.02745(6) 0.01542(10) Uani 1 1 d . . .
C16 C 0.75296(7) 0.22207(7) -0.08982(6) 0.01600(10) Uani 1 1 d . . .
C17 C 0.75442(7) 0.11663(7) -0.05928(6) 0.01898(11) Uani 1 1 d . . .
H17 H 0.7282 0.1033 0.0021 0.023 Uiso 1 1 calc R . .
C18 C 0.79429(9) 0.03103(8) -0.11868(8) 0.02653(15) Uani 1 1 d . . .
H18 H 0.7949 -0.0409 -0.0983 0.032 Uiso 1 1 calc R . .
C19 C 0.83325(10) 0.05152(9) -0.20809(9) 0.03129(17) Uani 1 1 d . . .
H19 H 0.8621 -0.0059 -0.2475 0.038 Uiso 1 1 calc R . .
C20 C 0.83039(9) 0.15531(9) -0.24033(7) 0.02733(15) Uani 1 1 d . . .
H20 H 0.8567 0.1684 -0.3018 0.033 Uiso 1 1 calc R . .
C21 C 0.78892(7) 0.23975(8) -0.18231(6) 0.02041(12) Uani 1 1 d . . .
H21 H 0.7850 0.3095 -0.2054 0.024 Uiso 1 1 calc R . .
C22 C 0.47224(6) 0.27811(7) 0.01510(6) 0.01627(10) Uani 1 1 d . . .
C23 C 0.37291(8) 0.32252(10) -0.00659(7) 0.02540(15) Uani 1 1 d . . .
H23 H 0.3973 0.4120 0.0383 0.030 Uiso 1 1 calc R . .
C24 C 0.23802(9) 0.23638(13) -0.09374(9) 0.0367(2) Uani 1 1 d . . .
H24 H 0.1711 0.2673 -0.1070 0.044 Uiso 1 1 calc R . .
C25 C 0.20119(9) 0.10538(12) -0.16130(9) 0.0358(2) Uani 1 1 d . . .
H25 H 0.1092 0.0467 -0.2198 0.043 Uiso 1 1 calc R . .
C26 C 0.29972(8) 0.06096(9) -0.14261(7) 0.02693(15) Uani 1 1 d . . .
H26 H 0.2756 -0.0278 -0.1900 0.032 Uiso 1 1 calc R . .
C27 C 0.43385(7) 0.14660(8) -0.05435(6) 0.01988(11) Uani 1 1 d . . .
H27 H 0.5004 0.1152 -0.0411 0.024 Uiso 1 1 calc R . .
C28 C 0.66950(6) 0.17617(7) 0.42833(6) 0.01587(10) Uani 1 1 d . . .
C29 C 0.57152(9) -0.04405(8) 0.39783(8) 0.02526(14) Uani 1 1 d . . .
H33A H 0.6168 -0.0697 0.3501 0.038 Uiso 1 1 calc R . .
H33B H 0.4823 -0.1163 0.3642 0.038 Uiso 1 1 calc R . .
H33C H 0.6259 -0.0230 0.4871 0.038 Uiso 1 1 calc R . .
C30 C 0.53737(6) 0.30267(7) 0.44683(6) 0.01559(10) Uani 1 1 d . . .
C31 C 0.50231(8) 0.35566(9) 0.62414(7) 0.02232(13) Uani 1 1 d . . .
H30A H 0.5042 0.4388 0.6230 0.033 Uiso 1 1 calc R . .
H30B H 0.5403 0.3648 0.7117 0.033 Uiso 1 1 calc R . .
H30C H 0.4088 0.2873 0.5760 0.033 Uiso 1 1 calc R . .
C32 C 0.84259(8) 0.59428(7) 0.38694(7) 0.02216(12) Uani 1 1 d . . .
H34A H 0.9336 0.6328 0.4580 0.033 Uiso 1 1 calc R . .
H34B H 0.7911 0.6378 0.4106 0.033 Uiso 1 1 calc R . .
H34C H 0.8488 0.6058 0.3136 0.033 Uiso 1 1 calc R . .
C1S C 0.0060(2) -0.07144(18) 0.4723(2) 0.0303(3) Uani 0.50 1 d P A -1
H1SA H 0.0712 -0.0904 0.5271 0.036 Uiso 0.50 1 d PR A -1
H1SB H -0.0335 -0.1350 0.3872 0.036 Uiso 0.50 1 d PR A -1
Cl1A Cl -0.11759(14) -0.07107(15) 0.51837(17) 0.0343(2) Uani 0.50 1 d P A -1
Cl2S Cl 0.10229(14) 0.08360(13) 0.48518(16) 0.0385(2) Uani 0.50 1 d P A -1
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'
Cl Cl 0.1484 0.1585 '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 C8 118.05(5) . . ?
C2 C1 O1 123.73(5) . . ?
C2 C1 C9 127.08(5) . . ?
O1 C1 C9 109.17(5) . . ?
C1 C2 C15 123.19(5) . . ?
C1 C2 C3 121.33(5) . . ?
C15 C2 C3 114.68(5) . . ?
C28 O3 C29 116.22(6) . . ?
C2 C3 C22 114.75(5) . . ?
C2 C3 C4 110.26(5) . . ?
C22 C3 C4 109.45(5) . . ?
C8 C4 C5 102.63(5) . . ?
C8 C4 C3 112.66(5) . . ?
C5 C4 C3 116.56(5) . . ?
C30 O5 C31 114.82(5) . . ?
C4 C5 C6 103.58(5) . . ?
C28 C6 C30 110.22(5) . . ?
C28 C6 C5 109.19(5) . . ?
C30 C6 C5 110.20(5) . . ?
C28 C6 C7 113.27(5) . . ?
C30 C6 C7 108.27(5) . . ?
C5 C6 C7 105.57(5) . . ?
C8 C7 C6 105.74(5) . . ?
O1 C8 C32 107.95(5) . . ?
O1 C8 C7 104.72(5) . . ?
C32 C8 C7 114.82(5) . . ?
O1 C8 C4 108.99(5) . . ?
C32 C8 C4 115.47(5) . . ?
C7 C8 C4 104.27(5) . . ?
C14 C9 C10 119.44(5) . . ?
C14 C9 C1 121.10(5) . . ?
C10 C9 C1 119.40(6) . . ?
C11 C10 C9 120.07(6) . . ?
C10 C11 C12 120.18(6) . . ?
C13 C12 C11 119.96(6) . . ?
C12 C13 C14 119.96(7) . . ?
C13 C14 C9 120.33(6) . . ?
O2 C15 C2 118.15(5) . . ?
O2 C15 C16 119.52(6) . . ?
C2 C15 C16 122.28(5) . . ?
C17 C16 C21 119.75(6) . . ?
C17 C16 C15 122.17(6) . . ?
C21 C16 C15 118.08(6) . . ?
C18 C17 C16 120.13(7) . . ?
C19 C18 C17 119.63(8) . . ?
C18 C19 C20 120.62(7) . . ?
C21 C20 C19 119.78(7) . . ?
C20 C21 C16 120.05(7) . . ?
C23 C22 C27 118.51(7) . . ?
C23 C22 C3 118.75(6) . . ?
C27 C22 C3 122.60(5) . . ?
C24 C23 C22 120.49(8) . . ?
C25 C24 C23 120.31(8) . . ?
C26 C25 C24 119.63(8) . . ?
C25 C26 C27 119.94(9) . . ?
C26 C27 C22 121.10(7) . . ?
O4 C28 O3 124.43(7) . . ?
O4 C28 C6 125.44(7) . . ?
O3 C28 C6 110.03(5) . . ?
O6 C30 O5 123.79(6) . . ?
O6 C30 C6 125.00(6) . . ?
O5 C30 C6 111.08(5) . . ?
Cl1A C1S Cl2S 112.03(11) . . ?
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 1.3627(7) . ?
O1 C8 1.4596(7) . ?
C1 C2 1.3593(8) . ?
C1 C9 1.4810(8) . ?
O2 C15 1.2324(8) . ?
C2 C15 1.4877(8) . ?
C2 C3 1.5176(8) . ?
O3 C28 1.3317(9) . ?
O3 C29 1.4476(9) . ?
C3 C22 1.5198(9) . ?
C3 C4 1.5364(8) . ?
C4 C8 1.5286(8) . ?
C4 C5 1.5329(9) . ?
O4 C28 1.2077(8) . ?
O5 C30 1.3364(8) . ?
O5 C31 1.4471(8) . ?
C5 C6 1.5530(8) . ?
C6 C28 1.5218(9) . ?
C6 C30 1.5224(8) . ?
C6 C7 1.5580(9) . ?
O6 C30 1.2047(8) . ?
C7 C8 1.5285(9) . ?
C8 C32 1.5174(10) . ?
C9 C14 1.3934(9) . ?
C9 C10 1.4002(9) . ?
C10 C11 1.3906(9) . ?
C11 C12 1.3917(11) . ?
C12 C13 1.3913(11) . ?
C13 C14 1.3931(9) . ?
C15 C16 1.4927(9) . ?
C16 C17 1.3972(10) . ?
C16 C21 1.4000(9) . ?
C17 C18 1.3929(10) . ?
C18 C19 1.3918(13) . ?
C19 C20 1.3923(14) . ?
C20 C21 1.3897(10) . ?
C22 C23 1.3976(9) . ?
C22 C27 1.3985(10) . ?
C23 C24 1.3967(13) . ?
C24 C25 1.3928(17) . ?
C25 C26 1.3901(13) . ?
C26 C27 1.3926(11) . ?
C1S Cl1A 1.746(2) . ?
C1S Cl2S 1.763(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
C8 O1 C1 C2 -21.17(9) . . . . ?
C8 O1 C1 C9 157.54(5) . . . . ?
O1 C1 C2 C15 175.59(6) . . . . ?
C9 C1 C2 C15 -2.88(11) . . . . ?
O1 C1 C2 C3 6.36(10) . . . . ?
C9 C1 C2 C3 -172.11(6) . . . . ?
C1 C2 C3 C22 -141.66(6) . . . . ?
C15 C2 C3 C22 48.25(8) . . . . ?
C1 C2 C3 C4 -17.54(9) . . . . ?
C15 C2 C3 C4 172.37(5) . . . . ?
C2 C3 C4 C8 42.52(7) . . . . ?
C22 C3 C4 C8 169.65(5) . . . . ?
C2 C3 C4 C5 -75.75(7) . . . . ?
C22 C3 C4 C5 51.38(6) . . . . ?
C8 C4 C5 C6 40.41(5) . . . . ?
C3 C4 C5 C6 164.02(5) . . . . ?
C4 C5 C6 C28 -146.22(5) . . . . ?
C4 C5 C6 C30 92.57(6) . . . . ?
C4 C5 C6 C7 -24.13(6) . . . . ?
C28 C6 C7 C8 118.19(5) . . . . ?
C30 C6 C7 C8 -119.24(5) . . . . ?
C5 C6 C7 C8 -1.23(6) . . . . ?
C1 O1 C8 C32 -80.99(7) . . . . ?
C1 O1 C8 C7 156.23(5) . . . . ?
C1 O1 C8 C4 45.14(8) . . . . ?
C6 C7 C8 O1 -88.15(5) . . . . ?
C6 C7 C8 C32 153.64(5) . . . . ?
C6 C7 C8 C4 26.30(6) . . . . ?
C5 C4 C8 O1 69.80(6) . . . . ?
C3 C4 C8 O1 -56.37(7) . . . . ?
C5 C4 C8 C32 -168.53(5) . . . . ?
C3 C4 C8 C32 65.30(7) . . . . ?
C5 C4 C8 C7 -41.60(5) . . . . ?
C3 C4 C8 C7 -167.77(5) . . . . ?
C2 C1 C9 C14 48.36(10) . . . . ?
O1 C1 C9 C14 -130.29(6) . . . . ?
C2 C1 C9 C10 -134.48(7) . . . . ?
O1 C1 C9 C10 46.86(8) . . . . ?
C14 C9 C10 C11 -1.90(9) . . . . ?
C1 C9 C10 C11 -179.11(6) . . . . ?
C9 C10 C11 C12 -0.31(10) . . . . ?
C10 C11 C12 C13 1.69(11) . . . . ?
C11 C12 C13 C14 -0.84(12) . . . . ?
C12 C13 C14 C9 -1.40(11) . . . . ?
C10 C9 C14 C13 2.76(10) . . . . ?
C1 C9 C14 C13 179.91(6) . . . . ?
C1 C2 C15 O2 -138.09(7) . . . . ?
C3 C2 C15 O2 31.80(9) . . . . ?
C1 C2 C15 C16 44.35(10) . . . . ?
C3 C2 C15 C16 -145.77(6) . . . . ?
O2 C15 C16 C17 -152.71(7) . . . . ?
C2 C15 C16 C17 24.82(10) . . . . ?
O2 C15 C16 C21 26.87(10) . . . . ?
C2 C15 C16 C21 -155.61(6) . . . . ?
C21 C16 C17 C18 1.38(11) . . . . ?
C15 C16 C17 C18 -179.05(7) . . . . ?
C16 C17 C18 C19 0.31(12) . . . . ?
C17 C18 C19 C20 -1.17(14) . . . . ?
C18 C19 C20 C21 0.33(14) . . . . ?
C19 C20 C21 C16 1.37(12) . . . . ?
C17 C16 C21 C20 -2.22(11) . . . . ?
C15 C16 C21 C20 178.19(7) . . . . ?
C2 C3 C22 C23 -153.84(6) . . . . ?
C4 C3 C22 C23 81.62(8) . . . . ?
C2 C3 C22 C27 30.56(9) . . . . ?
C4 C3 C22 C27 -93.99(7) . . . . ?
C27 C22 C23 C24 1.41(12) . . . . ?
C3 C22 C23 C24 -174.38(8) . . . . ?
C22 C23 C24 C25 -0.82(15) . . . . ?
C23 C24 C25 C26 -0.72(17) . . . . ?
C24 C25 C26 C27 1.64(15) . . . . ?
C25 C26 C27 C22 -1.04(13) . . . . ?
C23 C22 C27 C26 -0.49(11) . . . . ?
C3 C22 C27 C26 175.13(7) . . . . ?
C29 O3 C28 O4 -0.85(10) . . . . ?
C29 O3 C28 C6 175.81(6) . . . . ?
C30 C6 C28 O4 -132.67(7) . . . . ?
C5 C6 C28 O4 106.13(8) . . . . ?
C7 C6 C28 O4 -11.20(9) . . . . ?
C30 C6 C28 O3 50.70(7) . . . . ?
C5 C6 C28 O3 -70.49(6) . . . . ?
C7 C6 C28 O3 172.18(5) . . . . ?
C31 O5 C30 O6 -3.36(11) . . . . ?
C31 O5 C30 C6 172.64(6) . . . . ?
C28 C6 C30 O6 -131.92(8) . . . . ?
C5 C6 C30 O6 -11.33(10) . . . . ?
C7 C6 C30 O6 103.67(9) . . . . ?
C28 C6 C30 O5 52.13(7) . . . . ?
C5 C6 C30 O5 172.72(5) . . . . ?
C7 C6 C30 O5 -72.27(7) . . . . ?
