#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/14/2201495.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2201495
loop_
_publ_author_name
'Krishnakumar, R. V.'
'Subha Nandhini, M.'
'Renuga, S.'
'Natarajan, S.'
'Selvaraj, S.'
'Perumal, S.'
_publ_section_title
;
 2,2'-Sulfonylbis(2-benzoyl-3-phenyloxirane)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1174
_journal_page_last               o1176
_journal_paper_doi               10.1107/S1600536802017634
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'C30 H22 O6 S'
_chemical_formula_moiety         'C30 H22 O6 S'
_chemical_formula_sum            'C30 H22 O6 S'
_chemical_formula_weight         510.54
_chemical_name_systematic
;
2,2'-Sulfonylbis(2-benzoyl-3-phenyloxirane)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.05(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.228(3)
_cell_length_b                   11.754(6)
_cell_length_c                   18.659(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      14
_cell_volume                     2536.2(16)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'CAD-4 Software'
_computing_molecular_graphics    'PLATON (Spek, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0328
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            5012
_diffrn_reflns_theta_full        69.90
_diffrn_reflns_theta_max         69.90
_diffrn_reflns_theta_min         3.82
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.499
_exptl_absorpt_correction_T_max  0.698
_exptl_absorpt_correction_T_min  0.576
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.426
_refine_diff_density_min         -0.450
_refine_ls_extinction_coef       0.00103(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4795
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.1291
_refine_ls_R_factor_gt           0.0842
_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)+14.8815P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1863
_refine_ls_wR_factor_ref         0.2212
_reflns_number_gt                3365
_reflns_number_total             4795
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh6002.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201495
_cod_database_fobs_code          2201495
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
S1 0.34843(13) 0.65913(13) 0.61230(9) 0.0489(4) Uani d . 1 . . S
O1 0.3329(3) 0.7980(4) 0.7185(3) 0.0511(10) Uani d . 1 . . O
O2 0.5153(4) 0.9143(4) 0.7170(3) 0.0610(12) Uani d . 1 . . O
O3 0.2596(4) 0.5918(4) 0.6147(3) 0.0655(13) Uani d . 1 . . O
O1' 0.3611(4) 0.8300(4) 0.5232(3) 0.0614(12) Uani d . 1 . . O
O2' 0.1911(4) 0.9329(4) 0.5424(4) 0.0777(15) Uani d . 1 . . O
O3' 0.4373(4) 0.6069(4) 0.6007(3) 0.0643(13) Uani d . 1 . . O
C1 0.4169(4) 0.7422(5) 0.7050(3) 0.0414(13) Uani d . 1 . . C
C2 0.3932(5) 0.7034(5) 0.7715(4) 0.0451(13) Uani d . 1 . . C
H2 0.3484 0.6330 0.7600 0.054 Uiso calc R 1 . . H
C3 0.4710(5) 0.7266(5) 0.8579(4) 0.0477(14) Uani d . 1 . . C
C4 0.5008(6) 0.8379(6) 0.8894(4) 0.0564(16) Uani d . 1 . . C
H4 0.4728 0.9000 0.8541 0.068 Uiso calc R 1 . . H
C5 0.5711(6) 0.8550(7) 0.9719(4) 0.0673(19) Uani d . 1 . . C
H5 0.5904 0.9287 0.9921 0.081 Uiso calc R 1 . . H
C6 0.6135(6) 0.7645(8) 1.0253(4) 0.073(2) Uani d . 1 . . C
H6 0.6602 0.7766 1.0812 0.087 Uiso calc R 1 . . H
C7 0.5853(6) 0.6553(7) 0.9943(4) 0.070(2) Uani d . 1 . . C
H7 0.6144 0.5933 1.0295 0.083 Uiso calc R 1 . . H
C8 0.5156(6) 0.6380(6) 0.9128(4) 0.0581(17) Uani d . 1 . . C
H8 0.4972 0.5638 0.8934 0.070 Uiso calc R 1 . . H
C9 0.5236(5) 0.8109(5) 0.7213(3) 0.0420(13) Uani d . 1 . . C
C10 0.6313(5) 0.7487(5) 0.7431(3) 0.0439(13) Uani d . 1 . . C
C11 0.7208(5) 0.8060(6) 0.7392(4) 0.0564(16) Uani d . 1 . . C
H11 0.7119 0.8819 0.7233 0.068 Uiso calc R 1 . . H
C12 0.8221(6) 0.7499(8) 0.7592(5) 0.074(2) Uani d . 1 . . C
H12 0.8815 0.7880 0.7561 0.089 Uiso calc R 1 . . H
C13 0.8369(6) 0.6368(8) 0.7839(5) 0.075(2) Uani d . 1 . . C
H13 0.9061 0.5998 0.7978 0.090 Uiso calc R 1 . . H
C14 0.7496(6) 0.5800(7) 0.7877(4) 0.0668(19) Uani d . 1 . . C
H14 0.7594 0.5041 0.8038 0.080 Uiso calc R 1 . . H
C15 0.6467(5) 0.6346(5) 0.7679(4) 0.0496(15) Uani d . 1 . . C
H15 0.5878 0.5957 0.7710 0.060 Uiso calc R 1 . . H
C1' 0.2779(5) 0.7659(5) 0.5325(3) 0.0437(13) Uani d . 1 . . C
C2' 0.2976(5) 0.7468(6) 0.4613(4) 0.0562(16) Uani d . 1 . . C
H2' 0.3405 0.6775 0.4640 0.067 Uiso calc R 1 . . H
C3' 0.2155(6) 0.7870(7) 0.3774(4) 0.0643(19) Uani d . 1 . . C
C4' 0.1838(7) 0.8986(8) 0.3593(5) 0.085(3) Uani d . 1 . . C
H4' 0.2110 0.9532 0.4006 0.102 Uiso calc R 1 . . H
C5' 0.1088(8) 0.9298(11) 0.2767(7) 0.109(4) Uani d . 1 . . C
H5' 0.0866 1.0052 0.2630 0.131 Uiso calc R 1 . . H
C6' 0.0693(9) 0.8468(14) 0.2168(7) 0.121(5) Uani d . 1 . . C
H6' 0.0212 0.8671 0.1624 0.145 Uiso calc R 1 . . H
C7' 0.0994(8) 0.7365(13) 0.2360(6) 0.110(4) Uani d . 1 . . C
H7' 0.0693 0.6812 0.1953 0.132 Uiso calc R 1 . . H
C8' 0.1735(7) 0.7067(9) 0.3145(5) 0.084(3) Uani d . 1 . . C
H8' 0.1967 0.6313 0.3267 0.101 Uiso calc R 1 . . H
C9' 0.1763(5) 0.8315(5) 0.5273(4) 0.0502(15) Uani d . 1 . . C
C10' 0.0649(5) 0.7747(5) 0.5037(4) 0.0497(14) Uani d . 1 . . C
C11' -0.0185(6) 0.8325(7) 0.5134(4) 0.0646(19) Uani d . 1 . . C
H11' -0.0026 0.9050 0.5361 0.078 Uiso calc R 1 . . H
C12' -0.1249(7) 0.7845(8) 0.4900(6) 0.086(3) Uani d . 1 . . C
H12' -0.1803 0.8243 0.4970 0.103 Uiso calc R 1 . . H
C13' -0.1489(6) 0.6763(8) 0.4557(5) 0.083(3) Uani d . 1 . . C
H13' -0.2202 0.6426 0.4402 0.099 Uiso calc R 1 . . H
C14' -0.0667(6) 0.6196(7) 0.4452(4) 0.069(2) Uani d . 1 . . C
H14' -0.0833 0.5472 0.4221 0.083 Uiso calc R 1 . . H
C15' 0.0398(5) 0.6670(6) 0.4679(4) 0.0567(16) Uani d . 1 . . C
H15' 0.0942 0.6277 0.4594 0.068 Uiso calc R 1 . . H
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'
S S 0.3331 0.5567 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O3' S1 O3 120.8(3)
O3' S1 C1 108.1(3)
O3 S1 C1 107.9(3)
O3' S1 C1' 107.7(3)
O3 S1 C1' 107.7(3)
C1 S1 C1' 103.3(3)
C1 O1 C2 62.9(3)
C1' O1' C2' 63.1(4)
O1 C1 C2 59.5(3)
O1 C1 C9 116.8(5)
C2 C1 C9 123.0(5)
O1 C1 S1 110.5(4)
C2 C1 S1 115.0(4)
C9 C1 S1 117.7(4)
O1 C2 C3 118.2(5)
O1 C2 C1 57.6(3)
C3 C2 C1 122.9(5)
O1 C2 H2 115.3
C3 C2 H2 115.3
C1 C2 H2 115.3
C8 C3 C4 117.4(6)
C8 C3 C2 120.0(6)
C4 C3 C2 122.6(6)
C5 C4 C3 120.2(6)
C5 C4 H4 119.9
C3 C4 H4 119.9
C4 C5 C6 121.0(7)
C4 C5 H5 119.5
C6 C5 H5 119.5
C5 C6 C7 118.9(7)
C5 C6 H6 120.6
C7 C6 H6 120.6
C8 C7 C6 120.4(7)
C8 C7 H7 119.8
C6 C7 H7 119.8
C7 C8 C3 122.2(7)
C7 C8 H8 118.9
C3 C8 H8 118.9
O2 C9 C10 123.9(5)
O2 C9 C1 118.0(5)
C10 C9 C1 118.1(5)
C11 C10 C15 119.3(6)
C11 C10 C9 118.6(6)
C15 C10 C9 122.1(5)
C12 C11 C10 119.7(7)
C12 C11 H11 120.2
C10 C11 H11 120.2
C11 C12 C13 120.8(7)
C11 C12 H12 119.6
C13 C12 H12 119.6
C14 C13 C12 119.9(7)
C14 C13 H13 120.0
C12 C13 H13 120.0
C13 C14 C15 120.4(7)
C13 C14 H14 119.8
C15 C14 H14 119.8
C14 C15 C10 119.9(6)
C14 C15 H15 120.0
C10 C15 H15 120.0
O1' C1' C2' 59.1(4)
O1' C1' C9' 116.2(5)
C2' C1' C9' 123.7(5)
O1' C1' S1 110.3(4)
C2' C1' S1 112.5(4)
C9' C1' S1 119.5(4)
O1' C2' C3' 118.3(6)
O1' C2' C1' 57.8(4)
C3' C2' C1' 122.5(6)
O1' C2' H2' 115.3
C3' C2' H2' 115.3
C1' C2' H2' 115.3
C4' C3' C8' 119.5(8)
C4' C3' C2' 123.0(8)
C8' C3' C2' 117.4(8)
C3' C4' C5' 119.0(10)
C3' C4' H4' 120.5
C5' C4' H4' 120.5
C6' C5' C4' 119.2(11)
C6' C5' H5' 120.4
C4' C5' H5' 120.4
C7' C6' C5' 121.0(11)
C7' C6' H6' 119.5
C5' C6' H6' 119.5
C6' C7' C8' 120.0(12)
C6' C7' H7' 120.0
C8' C7' H7' 120.0
C7' C8' C3' 121.3(10)
C7' C8' H8' 119.4
C3' C8' H8' 119.4
O2' C9' C10' 122.5(6)
O2' C9' C1' 116.5(6)
C10' C9' C1' 121.0(5)
C11' C10' C15' 119.3(6)
C11' C10' C9' 118.9(6)
C15' C10' C9' 121.7(6)
C12' C11' C10' 121.1(8)
C12' C11' H11' 119.4
C10' C11' H11' 119.4
C11' C12' C13' 119.5(8)
C11' C12' H12' 120.3
C13' C12' H12' 120.3
C14' C13' C12' 119.4(7)
C14' C13' H13' 120.3
C12' C13' H13' 120.3
C13' C14' C15' 121.7(8)
C13' C14' H14' 119.2
C15' C14' H14' 119.2
C14' C15' C10' 119.0(7)
C14' C15' H15' 120.5
C10' C15' H15' 120.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
S1 O3' . 1.432(4) ?
S1 O3 . 1.435(4) ?
S1 C1 . 1.801(6) ?
S1 C1' . 1.820(6) ?
O1 C1 . 1.414(6) ?
O1 C2 . 1.443(7) ?
O2 C9 . 1.220(7) ?
O1' C1' . 1.413(7) ?
O1' C2' . 1.433(8) ?
O2' C9' . 1.218(7) ?
C1 C2 . 1.490(8) ?
C1 C9 . 1.523(7) ?
C2 C3 . 1.457(8) ?
C2 H2 . 0.9800 ?
C3 C8 . 1.376(9) ?
C3 C4 . 1.410(9) ?
C4 C5 . 1.374(9) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.376(10) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.383(11) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.357(9) ?
C7 H7 . 0.9300 ?
C8 H8 . 0.9300 ?
C9 C10 . 1.472(8) ?
C10 C11 . 1.393(8) ?
C10 C15 . 1.401(8) ?
C11 C12 . 1.373(10) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.389(11) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.366(10) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.383(8) ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
C1' C2' . 1.490(8) ?
C1' C9' . 1.511(8) ?
C2' C3' . 1.484(9) ?
C2' H2' . 0.9800 ?
C3' C4' . 1.369(11) ?
C3' C8' . 1.394(11) ?
C4' C5' . 1.417(12) ?
C4' H4' . 0.9300 ?
C5' C6' . 1.381(16) ?
C5' H5' . 0.9300 ?
C6' C7' . 1.352(16) ?
C6' H6' . 0.9300 ?
C7' C8' . 1.355(12) ?
C7' H7' . 0.9300 ?
C8' H8' . 0.9300 ?
C9' C10' . 1.476(8) ?
C10' C11' . 1.381(8) ?
C10' C15' . 1.394(9) ?
C11' C12' . 1.374(10) ?
C11' H11' . 0.9300 ?
C12' C13' . 1.390(12) ?
C12' H12' . 0.9300 ?
C13' C14' . 1.368(11) ?
C13' H13' . 0.9300 ?
C14' C15' . 1.377(9) ?
C14' H14' . 0.9300 ?
C15' H15' . 0.9300 ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
C4 O3' 3.250(10) 2_656 y
C5 O3' 3.240(10) 2_656 y
C7 O1' 3.270(10) 4_576 y
C8 O2 3.460(10) 2_646 y
C12 C14' 3.410(10) 4_676 y
C14 O1 3.470(10) 2_646 y
C7' O1 3.290(10) 4_575 y
C8' O1 3.370(10) 4_575 y
C14' C12 3.410(10) 4_475 y
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C15 H15 O2 2_646 0.93 2.60 3.458(8) 154
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
C2 O1 C1 C9 -114.3(6)
C2 O1 C1 S1 107.6(4)
O3' S1 C1 O1 178.7(4)
O3 S1 C1 O1 -49.2(4)
C1' S1 C1 O1 64.7(4)
O3' S1 C1 C2 -116.4(4)
O3 S1 C1 C2 15.8(5)
C1' S1 C1 C2 129.6(4)
O3' S1 C1 C9 41.0(5)
O3 S1 C1 C9 173.1(4)
C1' S1 C1 C9 -73.0(5)
C1 O1 C2 C3 113.0(6)
C9 C1 C2 O1 104.0(6)
S1 C1 C2 O1 -100.0(4)
O1 C1 C2 C3 -104.8(6)
C9 C1 C2 C3 -0.8(9)
S1 C1 C2 C3 155.2(5)
O1 C2 C3 C8 169.5(5)
C1 C2 C3 C8 -122.6(6)
O1 C2 C3 C4 -8.4(8)
C1 C2 C3 C4 59.4(8)
C8 C3 C4 C5 -0.4(9)
C2 C3 C4 C5 177.6(6)
C3 C4 C5 C6 -0.1(11)
C4 C5 C6 C7 0.8(11)
C5 C6 C7 C8 -1.1(12)
C6 C7 C8 C3 0.6(11)
C4 C3 C8 C7 0.2(10)
C2 C3 C8 C7 -177.8(6)
O1 C1 C9 O2 -24.7(8)
C2 C1 C9 O2 -94.3(7)
S1 C1 C9 O2 110.3(6)
O1 C1 C9 C10 154.0(5)
C2 C1 C9 C10 84.5(7)
S1 C1 C9 C10 -70.9(6)
O2 C9 C10 C11 -16.3(9)
C1 C9 C10 C11 165.1(5)
O2 C9 C10 C15 163.3(6)
C1 C9 C10 C15 -15.4(8)
C15 C10 C11 C12 0.5(10)
C9 C10 C11 C12 -180.0(6)
C10 C11 C12 C13 -0.6(11)
C11 C12 C13 C14 0.6(13)
C12 C13 C14 C15 -0.6(12)
C13 C14 C15 C10 0.5(11)
C11 C10 C15 C14 -0.4(9)
C9 C10 C15 C14 -179.9(6)
C2' O1' C1' C9' -115.2(6)
C2' O1' C1' S1 104.7(5)
O3' S1 C1' O1' -44.1(5)
O3 S1 C1' O1' -175.9(4)
C1 S1 C1' O1' 70.1(4)
O3' S1 C1' C2' 19.9(5)
O3 S1 C1' C2' -111.9(4)
C1 S1 C1' C2' 134.1(4)
O3' S1 C1' C9' 177.3(4)
O3 S1 C1' C9' 45.5(5)
C1 S1 C1' C9' -68.4(5)
C1' O1' C2' C3' 112.4(6)
C9' C1' C2' O1' 102.6(6)
S1 C1' C2' O1' -101.0(4)
O1' C1' C2' C3' -105.3(7)
C9' C1' C2' C3' -2.7(10)
S1 C1' C2' C3' 153.7(6)
O1' C2' C3' C4' -10.7(10)
C1' C2' C3' C4' 57.2(10)
O1' C2' C3' C8' 166.5(6)
C1' C2' C3' C8' -125.5(7)
C8' C3' C4' C5' 0.0(11)
C2' C3' C4' C5' 177.2(7)
C3' C4' C5' C6' 0.3(13)
C4' C5' C6' C7' 1.1(16)
C5' C6' C7' C8' -2.9(17)
C6' C7' C8' C3' 3.2(14)
C4' C3' C8' C7' -1.8(12)
C2' C3' C8' C7' -179.1(7)
O1' C1' C9' O2' -23.3(8)
C2' C1' C9' O2' -92.2(8)
S1 C1' C9' O2' 113.0(6)
O1' C1' C9' C10' 155.8(5)
C2' C1' C9' C10' 86.9(8)
S1 C1' C9' C10' -67.9(7)
O2' C9' C10' C11' -12.2(10)
C1' C9' C10' C11' 168.8(6)
O2' C9' C10' C15' 164.3(7)
C1' C9' C10' C15' -14.7(9)
C15' C10' C11' C12' 1.4(10)
C9' C10' C11' C12' 178.0(7)
C10' C11' C12' C13' -0.2(12)
C11' C12' C13' C14' -0.6(12)
C12' C13' C14' C15' 0.2(12)
C13' C14' C15' C10' 1.0(11)
C11' C10' C15' C14' -1.8(10)
C9' C10' C15' C14' -178.3(6)
