#------------------------------------------------------------------------------
#$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/02/49/4024928.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_4024928
loop_
_publ_author_name
'Chuan-Cheng Liao'
'Jia-Liang Zhu'
_publ_section_title
;
Investigation on Lewis Acid Mediated Diels-Alder Reactions of
2-Phosphono-2-alkenoates. Application to Total Synthesis of
(\+-)-α-Alasken-8-one via Reductive Alkylation of Resulting Adduct
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7873
_journal_page_last               7884
_journal_paper_doi               10.1021/jo9017292
_journal_volume                  74
_journal_year                    2009
_chemical_formula_moiety         'C20 H31 N2 O5 P S'
_chemical_formula_sum            'C20 H31 N2 O5 P S'
_chemical_formula_weight         442.50
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                108.664(4)
_cell_angle_beta                 96.593(4)
_cell_angle_gamma                100.843(4)
_cell_formula_units_Z            2
_cell_length_a                   9.0450(5)
_cell_length_b                   10.6569(5)
_cell_length_c                   12.6186(4)
_cell_measurement_reflns_used    7549
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.2891
_cell_measurement_theta_min      4.5079
_cell_volume                     1111.59(9)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CrysAlis CCD, Oxford Diffraction Ltd.'
_diffrn_measurement_method       'CrysAlis CCD, Oxford Diffraction Ltd.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0160
_diffrn_reflns_av_sigmaI/netI    0.0153
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9390
_diffrn_reflns_theta_full        66.51
_diffrn_reflns_theta_max         66.51
_diffrn_reflns_theta_min         4.51
_diffrn_source                   'Enhance (Cu) X-ray Source'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.255
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.449
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     267
_refine_ls_number_reflns         3838
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0332
_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)+(0.0471P)²+0.7133P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0884
_reflns_number_gt                3584
_reflns_number_total             3838
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo9017292_si_002_2.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'constro' was replaced with the
value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_database_code               4024928
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
S S 0.40104(4) -0.18859(4) 0.74649(3) 0.01887(12) Uani 1 1 d . . .
P P 0.79631(4) 0.23104(4) 0.65749(3) 0.01506(12) Uani 1 1 d . . .
O1 O 0.88392(12) 0.37931(11) 0.67253(10) 0.0202(3) Uani 1 1 d . . .
O2 O 0.91042(13) 0.18637(11) 0.73438(10) 0.0204(3) Uani 1 1 d . . .
O3 O 0.75131(12) 0.13356(12) 0.53915(10) 0.0194(3) Uani 1 1 d . . .
O4 O 0.31361(14) -0.32048(13) 0.67106(11) 0.0264(3) Uani 1 1 d . . .
O5 O 0.34034(14) -0.11707(14) 0.84174(11) 0.0280(3) Uani 1 1 d . . .
N1 N 0.52594(15) 0.02945(14) 0.72053(12) 0.0179(3) Uani 1 1 d . . .
N2 N 0.43423(16) -0.10051(14) 0.66344(12) 0.0195(3) Uani 1 1 d . . .
H2 H 0.3975 -0.1324 0.5898 0.023 Uiso 1 1 calc R . .
C1 C 0.51994(17) 0.11743(16) 0.67317(13) 0.0154(3) Uani 1 1 d . . .
H1 H 0.4476 0.0969 0.6055 0.018 Uiso 1 1 calc R . .
C2 C 0.63147(17) 0.25656(16) 0.72742(13) 0.0154(3) Uani 1 1 d . . .
C3 C 0.56430(18) 0.37091(16) 0.70356(14) 0.0173(3) Uani 1 1 d . . .
H3 H 0.6488 0.4558 0.7331 0.021 Uiso 1 1 calc R . .
C4 C 0.44003(19) 0.39830(17) 0.77216(15) 0.0228(4) Uani 1 1 d . . .
H4 H 0.3696 0.4449 0.7495 0.027 Uiso 1 1 calc R . .
C5 C 0.4225(2) 0.36181(18) 0.86176(16) 0.0258(4) Uani 1 1 d . . .
H5 H 0.3391 0.3818 0.8981 0.031 Uiso 1 1 calc R . .
C6 C 0.5263(2) 0.29102(18) 0.90897(15) 0.0233(4) Uani 1 1 d . . .
H6A H 0.4710 0.1954 0.8924 0.028 Uiso 1 1 calc R . .
H6B H 0.5539 0.3362 0.9927 0.028 Uiso 1 1 calc R . .
C7 C 0.67377(18) 0.29216(17) 0.85901(14) 0.0182(3) Uani 1 1 d . . .
H7 H 0.7195 0.2190 0.8726 0.022 Uiso 1 1 calc R . .
C8 C 0.79067(19) 0.42867(17) 0.91940(15) 0.0219(4) Uani 1 1 d . . .
H8A H 0.7474 0.5024 0.9087 0.033 Uiso 1 1 calc R . .
H8B H 0.8842 0.4270 0.8872 0.033 Uiso 1 1 calc R . .
H8C H 0.8152 0.4440 1.0009 0.033 Uiso 1 1 calc R . .
C9 C 0.5070(2) 0.34724(18) 0.57838(15) 0.0236(4) Uani 1 1 d . . .
H9A H 0.4246 0.2639 0.5456 0.035 Uiso 1 1 calc R . .
H9B H 0.5917 0.3375 0.5367 0.035 Uiso 1 1 calc R . .
H9C H 0.4681 0.4251 0.5725 0.035 Uiso 1 1 calc R . .
C10 C 1.04200(19) 0.41136(19) 0.65516(16) 0.0251(4) Uani 1 1 d . . .
H10A H 1.1072 0.3771 0.7027 0.030 Uiso 1 1 calc R . .
H10B H 1.0802 0.5116 0.6808 0.030 Uiso 1 1 calc R . .
C11 C 1.0565(2) 0.3501(2) 0.53329(18) 0.0367(5) Uani 1 1 d . . .
H11A H 1.0422 0.2512 0.5127 0.055 Uiso 1 1 calc R . .
H11B H 1.1585 0.3897 0.5232 0.055 Uiso 1 1 calc R . .
H11C H 0.9783 0.3693 0.4842 0.055 Uiso 1 1 calc R . .
C12 C 0.9155(2) 0.04504(18) 0.71357(16) 0.0244(4) Uani 1 1 d . . .
H12A H 0.8404 -0.0154 0.6442 0.029 Uiso 1 1 calc R . .
H12B H 0.8886 0.0187 0.7787 0.029 Uiso 1 1 calc R . .
C13 C 1.0733(2) 0.0294(2) 0.69850(19) 0.0356(5) Uani 1 1 d . . .
H13A H 1.0941 0.0436 0.6281 0.053 Uiso 1 1 calc R . .
H13B H 1.0812 -0.0625 0.6941 0.053 Uiso 1 1 calc R . .
H13C H 1.1483 0.0969 0.7634 0.053 Uiso 1 1 calc R . .
C14 C 0.58633(18) -0.19745(16) 0.79950(14) 0.0185(3) Uani 1 1 d . . .
C15 C 0.6655(2) -0.27464(17) 0.72631(15) 0.0217(4) Uani 1 1 d . . .
H15 H 0.6216 -0.3198 0.6478 0.026 Uiso 1 1 calc R . .
C16 C 0.8088(2) -0.28501(17) 0.76887(16) 0.0233(4) Uani 1 1 d . . .
H16 H 0.8634 -0.3373 0.7189 0.028 Uiso 1 1 calc R . .
C17 C 0.87428(19) -0.21988(18) 0.88388(15) 0.0226(4) Uani 1 1 d . . .
C18 C 0.7939(2) -0.14041(19) 0.95428(15) 0.0262(4) Uani 1 1 d . . .
H18 H 0.8382 -0.0934 1.0325 0.031 Uiso 1 1 calc R . .
C19 C 0.6503(2) -0.12821(18) 0.91290(15) 0.0235(4) Uani 1 1 d . . .
H19 H 0.5971 -0.0730 0.9619 0.028 Uiso 1 1 calc R . .
C20 C 1.0269(2) -0.2368(2) 0.93101(18) 0.0312(4) Uani 1 1 d . . .
H20A H 1.1084 -0.1608 0.9326 0.047 Uiso 1 1 calc R . .
H20B H 1.0445 -0.3230 0.8826 0.047 Uiso 1 1 calc R . .
H20C H 1.0272 -0.2376 1.0085 0.047 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'
N N 0.0311 0.0180 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
O5 S O4 118.84(8) . . ?
O5 S N2 111.80(8) . . ?
O4 S N2 104.54(7) . . ?
O5 S C14 107.39(8) . . ?
O4 S C14 110.46(8) . . ?
N2 S C14 102.67(7) . . ?
O3 P O1 115.78(7) . . ?
O3 P O2 112.52(6) . . ?
O1 P O2 103.05(6) . . ?
O3 P C2 112.87(7) . . ?
O1 P C2 103.88(7) . . ?
O2 P C2 107.83(7) . . ?
C10 O1 P 122.47(11) . . ?
C12 O2 P 123.34(10) . . ?
C1 N1 N2 117.13(14) . . ?
N1 N2 S 113.25(11) . . ?
N1 N2 H2 123.4 . . ?
S N2 H2 123.4 . . ?
N1 C1 C2 118.31(14) . . ?
N1 C1 H1 120.8 . . ?
C2 C1 H1 120.8 . . ?
C1 C2 C3 111.97(13) . . ?
C1 C2 C7 110.00(13) . . ?
C3 C2 C7 109.13(13) . . ?
C1 C2 P 102.30(10) . . ?
C3 C2 P 111.28(11) . . ?
C7 C2 P 112.06(11) . . ?
C4 C3 C9 110.77(14) . . ?
C4 C3 C2 109.43(13) . . ?
C9 C3 C2 115.87(13) . . ?
C4 C3 H3 106.8 . . ?
C9 C3 H3 106.8 . . ?
C2 C3 H3 106.8 . . ?
C5 C4 C3 124.51(16) . . ?
C5 C4 H4 117.7 . . ?
C3 C4 H4 117.7 . . ?
C4 C5 C6 123.80(16) . . ?
C4 C5 H5 118.1 . . ?
C6 C5 H5 118.1 . . ?
C5 C6 C7 112.42(14) . . ?
C5 C6 H6A 109.1 . . ?
C7 C6 H6A 109.1 . . ?
C5 C6 H6B 109.1 . . ?
C7 C6 H6B 109.1 . . ?
H6A C6 H6B 107.9 . . ?
C8 C7 C6 110.65(14) . . ?
C8 C7 C2 113.16(13) . . ?
C6 C7 C2 109.02(13) . . ?
C8 C7 H7 107.9 . . ?
C6 C7 H7 107.9 . . ?
C2 C7 H7 107.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C3 C9 H9A 109.5 . . ?
C3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O1 C10 C11 112.70(15) . . ?
O1 C10 H10A 109.1 . . ?
C11 C10 H10A 109.1 . . ?
O1 C10 H10B 109.1 . . ?
C11 C10 H10B 109.1 . . ?
H10A C10 H10B 107.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O2 C12 C13 109.09(15) . . ?
O2 C12 H12A 109.9 . . ?
C13 C12 H12A 109.9 . . ?
O2 C12 H12B 109.9 . . ?
C13 C12 H12B 109.9 . . ?
H12A C12 H12B 108.3 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 120.97(16) . . ?
C19 C14 S 119.62(13) . . ?
C15 C14 S 119.42(13) . . ?
C16 C15 C14 119.31(16) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C15 C16 C17 121.01(16) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C18 C17 C16 118.25(16) . . ?
C18 C17 C20 120.87(17) . . ?
C16 C17 C20 120.88(17) . . ?
C19 C18 C17 121.49(17) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C14 C19 C18 118.91(16) . . ?
C14 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
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
S O5 1.4317(13) . ?
S O4 1.4351(13) . ?
S N2 1.6326(14) . ?
S C14 1.7629(16) . ?
P O3 1.4775(12) . ?
P O1 1.5695(12) . ?
P O2 1.5760(12) . ?
P C2 1.8376(16) . ?
O1 C10 1.4647(19) . ?
O2 C12 1.454(2) . ?
N1 C1 1.269(2) . ?
N1 N2 1.3846(19) . ?
N2 H2 0.8800 . ?
C1 C2 1.521(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.554(2) . ?
C2 C7 1.563(2) . ?
C3 C4 1.511(2) . ?
C3 C9 1.528(2) . ?
C3 H3 1.0000 . ?
C4 C5 1.324(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.493(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.539(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.530(2) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.498(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.494(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C19 1.379(2) . ?
C14 C15 1.389(2) . ?
C15 C16 1.383(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.394(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(3) . ?
C17 C20 1.505(2) . ?
C18 C19 1.388(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
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
O3 P O1 C10 -71.32(14) . . . . ?
O2 P O1 C10 51.95(13) . . . . ?
C2 P O1 C10 164.35(12) . . . . ?
O3 P O2 C12 -27.38(15) . . . . ?
O1 P O2 C12 -152.79(12) . . . . ?
C2 P O2 C12 97.74(13) . . . . ?
C1 N1 N2 S -159.08(12) . . . . ?
O5 S N2 N1 53.61(13) . . . . ?
O4 S N2 N1 -176.58(11) . . . . ?
C14 S N2 N1 -61.21(13) . . . . ?
N2 N1 C1 C2 -173.60(13) . . . . ?
N1 C1 C2 C3 -150.76(14) . . . . ?
N1 C1 C2 C7 -29.24(19) . . . . ?
N1 C1 C2 P 89.99(15) . . . . ?
O3 P C2 C1 32.44(12) . . . . ?
O1 P C2 C1 158.63(10) . . . . ?
O2 P C2 C1 -92.47(10) . . . . ?
O3 P C2 C3 -87.28(12) . . . . ?
O1 P C2 C3 38.91(12) . . . . ?
O2 P C2 C3 147.81(11) . . . . ?
O3 P C2 C7 150.22(11) . . . . ?
O1 P C2 C7 -83.59(12) . . . . ?
O2 P C2 C7 25.31(13) . . . . ?
C1 C2 C3 C4 71.95(17) . . . . ?
C7 C2 C3 C4 -50.07(17) . . . . ?
P C2 C3 C4 -174.24(11) . . . . ?
C1 C2 C3 C9 -54.13(18) . . . . ?
C7 C2 C3 C9 -176.15(13) . . . . ?
P C2 C3 C9 59.68(16) . . . . ?
C9 C3 C4 C5 147.25(17) . . . . ?
C2 C3 C4 C5 18.3(2) . . . . ?
C3 C4 C5 C6 1.5(3) . . . . ?
C4 C5 C6 C7 12.1(2) . . . . ?
C5 C6 C7 C8 80.88(18) . . . . ?
C5 C6 C7 C2 -44.18(18) . . . . ?
C1 C2 C7 C8 177.80(13) . . . . ?
C3 C2 C7 C8 -59.00(17) . . . . ?
P C2 C7 C8 64.71(16) . . . . ?
C1 C2 C7 C6 -58.61(16) . . . . ?
C3 C2 C7 C6 64.59(16) . . . . ?
P C2 C7 C6 -171.69(11) . . . . ?
P O1 C10 C11 67.72(19) . . . . ?
P O2 C12 C13 122.22(14) . . . . ?
O5 S C14 C19 -6.63(16) . . . . ?
O4 S C14 C19 -137.65(14) . . . . ?
N2 S C14 C19 111.35(14) . . . . ?
O5 S C14 C15 173.14(13) . . . . ?
O4 S C14 C15 42.13(15) . . . . ?
N2 S C14 C15 -68.88(14) . . . . ?
C19 C14 C15 C16 1.8(2) . . . . ?
S C14 C15 C16 -177.93(13) . . . . ?
C14 C15 C16 C17 0.3(3) . . . . ?
C15 C16 C17 C18 -2.0(3) . . . . ?
C15 C16 C17 C20 177.07(16) . . . . ?
C16 C17 C18 C19 1.7(3) . . . . ?
C20 C17 C18 C19 -177.44(17) . . . . ?
C15 C14 C19 C18 -2.2(3) . . . . ?
S C14 C19 C18 177.57(13) . . . . ?
C17 C18 C19 C14 0.4(3) . . . . ?
