#------------------------------------------------------------------------------
#$Date: 2023-12-12 11:56:26 +0200 (Tue, 12 Dec 2023) $
#$Revision: 288243 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/73/1547388.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_1547388
loop_
_publ_author_name
'Nicolas Delpont'
'Imma Escofet'
'Patricia Perez-Galen'
'Dirk Spiegl'
'Mihai Raducan'
'Christophe Bour'
'Riccardo Sinisi'
'Antonio M. Echavarrena'
_publ_section_title
;
 Modular chiral gold(i) phosphite complexes
;
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              3007
_journal_page_last               3012
_journal_paper_doi               10.1039/c3cy00250k
_journal_volume                  3
_journal_year                    2013
_chemical_formula_sum            'C30 H57 Au Cl O3 P'
_chemical_formula_weight         729.14
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 112.325(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.461(2)
_cell_length_b                   9.2739(11)
_cell_length_c                   20.008(2)
_cell_measurement_reflns_used    5596
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.87
_cell_measurement_theta_min      3.01
_cell_volume                     3340.4(6)
_computing_cell_refinement       'Bruker APEX2 v2011.4-0'
_computing_data_collection       'Bruker APEX2 v2011.4-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    Sir2011
_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 0.96
_diffrn_measured_fraction_theta_max 0.960
_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 MicroMount'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0644
_diffrn_reflns_av_sigmaI/netI    0.0721
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            23505
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.07
_diffrn_reflns_theta_min         2.87
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           70
_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    4.558
_exptl_absorpt_correction_T_max  0.9558
_exptl_absorpt_correction_T_min  0.3417
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2008/1 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1488
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         5.633
_refine_diff_density_min         -2.715
_refine_diff_density_rms         0.255
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.024(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         8558
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.0687
_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)+(0.0999P)²+52.9838P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1694
_refine_ls_wR_factor_ref         0.1771
_reflns_number_gt                7397
_reflns_number_total             8558
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            CY-003-C3CY00250K-s006.cif
_cod_data_source_block           chbo550_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 

The following automatic conversions were performed:

data name '_diffrn_measurement_specimen_suppport' was replaced with
'_diffrn_measurement_specimen_support' as specified in the
replacement file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        3340.4(7)
_cod_original_sg_symbol_H-M      C2
_cod_database_code               1547388
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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
Au1 Au 0.166852(17) 0.97423(8) 0.291909(14) 0.02083(10) Uani 1 1 d . . .
Cl1 Cl 0.21351(18) 1.1939(4) 0.33441(13) 0.0317(6) Uani 1 1 d . . .
P1 P 0.11930(12) 0.7660(3) 0.24392(11) 0.0152(5) Uani 1 1 d . . .
O1 O 0.1271(3) 0.6368(8) 0.2975(3) 0.0145(13) Uani 1 1 d . . .
O2 O 0.1544(4) 0.7182(9) 0.1885(3) 0.0165(14) Uani 1 1 d . . .
O3 O 0.0327(3) 0.7638(11) 0.1956(3) 0.0235(17) Uani 1 1 d . . .
C1 C 0.1817(5) 0.6383(12) 0.3720(4) 0.0160(18) Uani 1 1 d . . .
H1 H 0.1824 0.7331 0.3939 0.019 Uiso 1 1 calc R . .
C2 C 0.1571(5) 0.5220(12) 0.4129(5) 0.0166(19) Uani 1 1 d . . .
H2 H 0.1590 0.4289 0.3906 0.020 Uiso 1 1 calc R . .
C3 C 0.2149(6) 0.5179(13) 0.4912(5) 0.024(3) Uani 1 1 d . . .
H3A H 0.2166 0.6111 0.5137 0.029 Uiso 1 1 calc R . .
H3B H 0.2002 0.4466 0.5186 0.029 Uiso 1 1 calc R . .
C4 C 0.2921(5) 0.480(3) 0.4926(4) 0.029(2) Uani 1 1 d . . .
H4A H 0.2909 0.3859 0.4715 0.035 Uiso 1 1 calc R . .
H4B H 0.3275 0.4777 0.5422 0.035 Uiso 1 1 calc R . .
C5 C 0.3170(5) 0.5952(15) 0.4494(5) 0.025(2) Uani 1 1 d . . .
H5 H 0.3201 0.6894 0.4725 0.030 Uiso 1 1 calc R . .
C6 C 0.2584(5) 0.6034(13) 0.3709(5) 0.022(2) Uani 1 1 d . . .
H6A H 0.2725 0.6776 0.3443 0.027 Uiso 1 1 calc R . .
H6B H 0.2565 0.5120 0.3466 0.027 Uiso 1 1 calc R . .
C7 C 0.0771(6) 0.5434(16) 0.4088(5) 0.027(2) Uani 1 1 d . . .
H7 H 0.0456 0.5493 0.3573 0.032 Uiso 1 1 calc R . .
C8 C 0.0511(8) 0.409(2) 0.4380(8) 0.046(4) Uani 1 1 d . . .
H8A H 0.0652 0.3240 0.4192 0.068 Uiso 1 1 calc R . .
H8B H -0.0019 0.4120 0.4233 0.068 Uiso 1 1 calc R . .
H8C H 0.0739 0.4085 0.4898 0.068 Uiso 1 1 calc R . .
C9 C 0.0644(7) 0.684(2) 0.4430(6) 0.038(3) Uani 1 1 d . . .
H9A H 0.0897 0.6790 0.4945 0.057 Uiso 1 1 calc R . .
H9B H 0.0122 0.6971 0.4312 0.057 Uiso 1 1 calc R . .
H9C H 0.0834 0.7637 0.4246 0.057 Uiso 1 1 calc R . .
C10 C 0.3930(6) 0.5579(19) 0.4483(7) 0.036(3) Uani 1 1 d . . .
H10A H 0.4288 0.5512 0.4969 0.054 Uiso 1 1 calc R . .
H10B H 0.4079 0.6319 0.4230 0.054 Uiso 1 1 calc R . .
H10C H 0.3901 0.4672 0.4242 0.054 Uiso 1 1 calc R . .
C11 C 0.1205(5) 0.6168(13) 0.1290(5) 0.019(2) Uani 1 1 d . . .
H11 H 0.0688 0.6452 0.1023 0.023 Uiso 1 1 calc R . .
C12 C 0.1220(4) 0.464(2) 0.1566(4) 0.023(2) Uani 1 1 d . . .
H12A H 0.0945 0.4599 0.1880 0.027 Uiso 1 1 calc R . .
H12B H 0.1730 0.4361 0.1846 0.027 Uiso 1 1 calc R . .
C13 C 0.0881(6) 0.3591(15) 0.0940(6) 0.025(2) Uani 1 1 d . . .
H13 H 0.0359 0.3863 0.0687 0.030 Uiso 1 1 calc R . .
C14 C 0.1261(6) 0.3730(15) 0.0403(6) 0.026(2) Uani 1 1 d . . .
H14A H 0.1767 0.3379 0.0627 0.031 Uiso 1 1 calc R . .
H14B H 0.1003 0.3127 -0.0013 0.031 Uiso 1 1 calc R . .
C15 C 0.1274(6) 0.5254(14) 0.0155(5) 0.023(2) Uani 1 1 d . . .
H15A H 0.0769 0.5563 -0.0123 0.028 Uiso 1 1 calc R . .
H15B H 0.1548 0.5285 -0.0161 0.028 Uiso 1 1 calc R . .
C16 C 0.1635(5) 0.6317(14) 0.0792(5) 0.020(2) Uani 1 1 d . . .
H16 H 0.2139 0.5962 0.1064 0.024 Uiso 1 1 calc R . .
C17 C 0.1712(6) 0.7855(16) 0.0575(5) 0.029(3) Uani 1 1 d . . .
H17 H 0.1946 0.8397 0.1025 0.035 Uiso 1 1 calc R . .
C18 C 0.2224(6) 0.801(2) 0.0157(6) 0.039(4) Uani 1 1 d . . .
H18A H 0.1989 0.7591 -0.0314 0.059 Uiso 1 1 calc R . .
H18B H 0.2685 0.7523 0.0413 0.059 Uiso 1 1 calc R . .
H18C H 0.2319 0.9013 0.0110 0.059 Uiso 1 1 calc R . .
C19 C 0.0968(7) 0.8593(17) 0.0160(6) 0.031(3) Uani 1 1 d . . .
H19A H 0.1054 0.9576 0.0064 0.046 Uiso 1 1 calc R . .
H19B H 0.0667 0.8569 0.0445 0.046 Uiso 1 1 calc R . .
H19C H 0.0717 0.8096 -0.0288 0.046 Uiso 1 1 calc R . .
C20 C 0.0897(7) 0.2053(16) 0.1204(6) 0.031(3) Uani 1 1 d . . .
H20A H 0.1402 0.1765 0.1467 0.047 Uiso 1 1 calc R . .
H20B H 0.0674 0.1424 0.0798 0.047 Uiso 1 1 calc R . .
H20C H 0.0624 0.1997 0.1515 0.047 Uiso 1 1 calc R . .
C21 C -0.0220(5) 0.7652(15) 0.2296(5) 0.024(2) Uani 1 1 d . . .
H21 H 0.0034 0.7789 0.2818 0.028 Uiso 1 1 calc R . .
C22 C -0.0601(6) 0.6186(17) 0.2145(6) 0.030(3) Uani 1 1 d . . .
H22A H -0.0237 0.5437 0.2363 0.037 Uiso 1 1 calc R . .
H22B H -0.0815 0.6019 0.1628 0.037 Uiso 1 1 calc R . .
C23 C -0.1217(6) 0.6104(17) 0.2451(7) 0.032(3) Uani 1 1 d . . .
H23 H -0.0983 0.6253 0.2975 0.039 Uiso 1 1 calc R . .
C24 C -0.1766(6) 0.732(2) 0.2142(6) 0.039(4) Uani 1 1 d . . .
H24A H -0.2136 0.7301 0.2359 0.047 Uiso 1 1 calc R . .
H24B H -0.2021 0.7181 0.1626 0.047 Uiso 1 1 calc R . .
C25 C -0.1375(7) 0.879(2) 0.2285(7) 0.038(3) Uani 1 1 d . . .
H25A H -0.1158 0.8956 0.2802 0.046 Uiso 1 1 calc R . .
H25B H -0.1739 0.9537 0.2069 0.046 Uiso 1 1 calc R . .
C26 C -0.0764(6) 0.8880(18) 0.1979(5) 0.031(3) Uani 1 1 d . . .
H26 H -0.1000 0.8710 0.1458 0.037 Uiso 1 1 calc R . .
C27 C -0.0394(7) 1.0371(17) 0.2082(6) 0.032(3) Uani 1 1 d . . .
H27 H 0.0046 1.0260 0.1962 0.038 Uiso 1 1 calc R . .
C28 C -0.0888(8) 1.1460(19) 0.1553(7) 0.039(3) Uani 1 1 d . . .
H28A H -0.1007 1.1121 0.1069 0.058 Uiso 1 1 calc R . .
H28B H -0.0634 1.2366 0.1616 0.058 Uiso 1 1 calc R . .
H28C H -0.1338 1.1582 0.1639 0.058 Uiso 1 1 calc R . .
C29 C -0.0113(8) 1.0975(16) 0.2865(7) 0.034(3) Uani 1 1 d . . .
H29A H -0.0530 1.1171 0.2996 0.051 Uiso 1 1 calc R . .
H29B H 0.0160 1.1849 0.2890 0.051 Uiso 1 1 calc R . .
H29C H 0.0204 1.0277 0.3192 0.051 Uiso 1 1 calc R . .
C30 C -0.1587(7) 0.456(2) 0.2321(9) 0.046(5) Uani 1 1 d . . .
H30A H -0.1745 0.4315 0.1819 0.069 Uiso 1 1 calc R . .
H30B H -0.2009 0.4570 0.2459 0.069 Uiso 1 1 calc R . .
H30C H -0.1233 0.3864 0.2607 0.069 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'
P P 0.1023 0.0942 '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'
Au Au -2.0133 8.8022 '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
P1 Au1 Cl1 176.53(9) . .
O2 P1 O1 108.1(4) . .
O2 P1 O3 102.2(4) . .
O1 P1 O3 102.1(4) . .
O2 P1 Au1 109.4(3) . .
O1 P1 Au1 117.0(3) . .
O3 P1 Au1 116.7(4) . .
C1 O1 P1 122.0(6) . .
C11 O2 P1 125.0(6) . .
C21 O3 P1 120.3(5) . .
O1 C1 C2 106.4(7) . .
O1 C1 C6 108.4(7) . .
C2 C1 C6 111.2(8) . .
C1 C2 C7 113.2(9) . .
C1 C2 C3 107.7(8) . .
C7 C2 C3 112.9(8) . .
C4 C3 C2 110.9(8) . .
C3 C4 C5 110.2(13) . .
C10 C5 C6 109.8(9) . .
C10 C5 C4 111.2(11) . .
C6 C5 C4 109.3(9) . .
C1 C6 C5 109.9(8) . .
C9 C7 C8 112.7(11) . .
C9 C7 C2 114.6(10) . .
C8 C7 C2 110.3(12) . .
O2 C11 C12 111.4(8) . .
O2 C11 C16 106.4(8) . .
C12 C11 C16 112.4(9) . .
C11 C12 C13 110.8(8) . .
C20 C13 C14 112.0(10) . .
C20 C13 C12 111.6(10) . .
C14 C13 C12 110.5(10) . .
C15 C14 C13 112.8(10) . .
C14 C15 C16 112.6(8) . .
C17 C16 C11 114.1(9) . .
C17 C16 C15 115.2(8) . .
C11 C16 C15 106.8(8) . .
C16 C17 C19 113.6(9) . .
C16 C17 C18 113.6(11) . .
C19 C17 C18 109.8(9) . .
O3 C21 C26 109.1(9) . .
O3 C21 C22 106.6(9) . .
C26 C21 C22 112.1(9) . .
C21 C22 C23 111.1(10) . .
C24 C23 C22 109.7(11) . .
C24 C23 C30 113.6(11) . .
C22 C23 C30 110.8(11) . .
C23 C24 C25 111.1(10) . .
C24 C25 C26 112.5(12) . .
C21 C26 C25 108.4(10) . .
C21 C26 C27 113.7(9) . .
C25 C26 C27 113.1(12) . .
C28 C27 C26 111.5(11) . .
C28 C27 C29 110.6(12) . .
C26 C27 C29 115.3(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.198(3) .
Au1 Cl1 2.261(3) .
P1 O2 1.572(6) .
P1 O1 1.576(7) .
P1 O3 1.593(7) .
O1 C1 1.465(10) .
O2 C11 1.462(12) .
O3 C21 1.465(11) .
C1 C2 1.536(14) .
C1 C6 1.537(14) .
C2 C7 1.540(14) .
C2 C3 1.543(13) .
C3 C4 1.531(15) .
C4 C5 1.56(2) .
C5 C10 1.527(15) .
C5 C6 1.554(13) .
C7 C9 1.53(2) .
C7 C8 1.54(2) .
C11 C12 1.52(2) .
C11 C16 1.531(11) .
C12 C13 1.524(19) .
C13 C20 1.52(2) .
C13 C14 1.522(14) .
C14 C15 1.502(19) .
C15 C16 1.553(16) .
C16 C17 1.515(18) .
C17 C19 1.530(17) .
C17 C18 1.532(14) .
C21 C26 1.519(18) .
C21 C22 1.52(2) .
C22 C23 1.540(14) .
C23 C24 1.51(2) .
C23 C30 1.58(2) .
C24 C25 1.53(3) .
C25 C26 1.533(14) .
C26 C27 1.54(2) .
C27 C28 1.513(18) .
C27 C29 1.554(17) .
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
Cl1 Au1 P1 O2 55.7(18) . . . .
Cl1 Au1 P1 O1 179(100) . . . .
Cl1 Au1 P1 O3 -59.6(18) . . . .
O2 P1 O1 C1 105.4(7) . . . .
O3 P1 O1 C1 -147.3(7) . . . .
Au1 P1 O1 C1 -18.6(7) . . . .
O1 P1 O2 C11 73.9(8) . . . .
O3 P1 O2 C11 -33.3(9) . . . .
Au1 P1 O2 C11 -157.6(7) . . . .
O2 P1 O3 C21 164.1(9) . . . .
O1 P1 O3 C21 52.3(10) . . . .
Au1 P1 O3 C21 -76.6(9) . . . .
P1 O1 C1 C2 162.9(6) . . . .
P1 O1 C1 C6 -77.4(10) . . . .
O1 C1 C2 C7 -56.1(10) . . . .
C6 C1 C2 C7 -174.0(8) . . . .
O1 C1 C2 C3 178.4(8) . . . .
C6 C1 C2 C3 60.5(10) . . . .
C1 C2 C3 C4 -60.3(14) . . . .
C7 C2 C3 C4 174.0(13) . . . .
C2 C3 C4 C5 59.7(15) . . . .
C3 C4 C5 C10 -178.4(11) . . . .
C3 C4 C5 C6 -57.0(14) . . . .
O1 C1 C6 C5 -176.7(9) . . . .
C2 C1 C6 C5 -60.0(12) . . . .
C10 C5 C6 C1 179.0(11) . . . .
C4 C5 C6 C1 56.8(13) . . . .
C1 C2 C7 C9 -62.3(12) . . . .
C3 C2 C7 C9 60.4(13) . . . .
C1 C2 C7 C8 169.2(10) . . . .
C3 C2 C7 C8 -68.1(13) . . . .
P1 O2 C11 C12 -71.0(10) . . . .
P1 O2 C11 C16 166.2(7) . . . .
O2 C11 C12 C13 -178.8(7) . . . .
C16 C11 C12 C13 -59.5(10) . . . .
C11 C12 C13 C20 179.5(8) . . . .
C11 C12 C13 C14 54.2(12) . . . .
C20 C13 C14 C15 -178.0(10) . . . .
C12 C13 C14 C15 -52.9(14) . . . .
C13 C14 C15 C16 55.3(12) . . . .
O2 C11 C16 C17 -51.0(10) . . . .
C12 C11 C16 C17 -173.1(8) . . . .
O2 C11 C16 C15 -179.4(8) . . . .
C12 C11 C16 C15 58.4(10) . . . .
C14 C15 C16 C17 176.1(8) . . . .
C14 C15 C16 C11 -56.1(11) . . . .
C11 C16 C17 C19 -60.7(11) . . . .
C15 C16 C17 C19 63.3(11) . . . .
C11 C16 C17 C18 172.7(8) . . . .
C15 C16 C17 C18 -63.2(11) . . . .
P1 O3 C21 C26 126.7(9) . . . .
P1 O3 C21 C22 -112.1(9) . . . .
O3 C21 C22 C23 -177.4(9) . . . .
C26 C21 C22 C23 -58.1(11) . . . .
C21 C22 C23 C24 56.2(13) . . . .
C21 C22 C23 C30 -177.7(11) . . . .
C22 C23 C24 C25 -55.5(13) . . . .
C30 C23 C24 C25 180.0(10) . . . .
C23 C24 C25 C26 57.2(13) . . . .
O3 C21 C26 C25 174.4(10) . . . .
C22 C21 C26 C25 56.6(12) . . . .
O3 C21 C26 C27 -58.9(11) . . . .
C22 C21 C26 C27 -176.8(8) . . . .
C24 C25 C26 C21 -56.1(13) . . . .
C24 C25 C26 C27 176.9(10) . . . .
C21 C26 C27 C28 160.0(9) . . . .
C25 C26 C27 C28 -75.8(12) . . . .
C21 C26 C27 C29 -72.8(12) . . . .
C25 C26 C27 C29 51.3(13) . . . .
