#------------------------------------------------------------------------------
#$Date: 2022-05-07 06:31:48 +0300 (Sat, 07 May 2022) $
#$Revision: 275203 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/65/1516500.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_1516500
loop_
_publ_author_name
'Furukawa, Shunsuke'
'Haga, Shunsuke'
'Kobayashi, Junji'
'Kawashima, Takayuki'
_publ_section_title
;
 Synthesis of π-Extended Dibenzophospholes by Intramolecular Radical
 Cyclization and Their Properties.
;
_journal_issue                   12
_journal_name_full               'Organic letters'
_journal_page_first              3228
_journal_page_last               3231
_journal_paper_doi               10.1021/ol501189u
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C38 H36 P2 S2'
_chemical_formula_sum            'C38 H36 P2 S2'
_chemical_formula_weight         618.73
_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                109.378(6)
_cell_angle_beta                 91.446(5)
_cell_angle_gamma                107.726(6)
_cell_formula_units_Z            2
_cell_length_a                   9.151(5)
_cell_length_b                   12.814(8)
_cell_length_c                   15.408(9)
_cell_measurement_temperature    120(2)
_cell_volume                     1607.4(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10287
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.29
_exptl_absorpt_coefficient_mu    0.292
_exptl_absorpt_correction_T_max  0.9714
_exptl_absorpt_correction_T_min  0.8923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Jacobson, R. (1998) Private communication
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.529
_refine_diff_density_min         -0.344
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         5462
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0374
_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)+(0.0598P)²+0.5554P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1117
_reflns_number_gt                4636
_reflns_number_total             5462
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol501189u_si_002.cif
_cod_data_source_block           trpoles20128
_cod_depositor_comments
'Adding full bibliography for 1516499--1516500.cif.'
_cod_original_cell_volume        1607.3(16)
_cod_database_code               1516500
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
P1 P -0.03518(6) -0.26619(4) -0.03541(3) 0.01374(14) Uani 1 1 d .
S1 S 0.12126(6) -0.32818(5) -0.09467(4) 0.02299(15) Uani 1 1 d .
P2 P 0.30653(6) 0.23096(4) 0.44996(4) 0.01766(14) Uani 1 1 d .
S2 S 0.33920(7) 0.15524(5) 0.53564(4) 0.02826(16) Uani 1 1 d .
C1 C -0.0351(2) -0.23248(16) 0.08813(13) 0.0138(4) Uani 1 1 d .
C2 C -0.0493(2) -0.30752(17) 0.13727(13) 0.0166(4) Uani 1 1 d .
H1 H -0.0522 -0.3859 0.1064 0.020 Uiso 1 1 calc R
C3 C -0.0593(2) -0.26756(17) 0.23213(13) 0.0165(4) Uani 1 1 d .
C4 C -0.0555(2) -0.15207(18) 0.27520(13) 0.0187(4) Uani 1 1 d .
H2 H -0.0634 -0.1245 0.3396 0.022 Uiso 1 1 calc R
C5 C -0.0404(2) -0.07613(17) 0.22669(13) 0.0167(4) Uani 1 1 d .
H3 H -0.0372 0.0023 0.2577 0.020 Uiso 1 1 calc R
C6 C -0.0301(2) -0.11632(17) 0.13226(13) 0.0146(4) Uani 1 1 d .
C7 C -0.0153(2) -0.04927(17) 0.06914(13) 0.0144(4) Uani 1 1 d .
C8 C -0.0159(2) -0.11676(17) -0.02391(13) 0.0144(4) Uani 1 1 d .
C9 C 0.0006(2) 0.06897(17) 0.09353(13) 0.0161(4) Uani 1 1 d .
H4 H 0.0010 0.1157 0.1561 0.019 Uiso 1 1 calc R
C10 C 0.3874(2) 0.20155(18) 0.34208(14) 0.0186(4) Uani 1 1 d .
C11 C 0.3571(2) 0.09385(18) 0.27047(14) 0.0205(4) Uani 1 1 d .
H5 H 0.2905 0.0244 0.2767 0.025 Uiso 1 1 calc R
C12 C 0.4248(2) 0.08800(19) 0.18935(14) 0.0214(5) Uani 1 1 d .
C13 C 0.5260(2) 0.19248(19) 0.18442(14) 0.0233(5) Uani 1 1 d .
H6 H 0.5747 0.1895 0.1303 0.028 Uiso 1 1 calc R
C14 C 0.5573(2) 0.29987(19) 0.25574(14) 0.0215(4) Uani 1 1 d .
H7 H 0.6267 0.3690 0.2504 0.026 Uiso 1 1 calc R
C15 C 0.4858(2) 0.30558(17) 0.33550(14) 0.0178(4) Uani 1 1 d .
C16 C 0.4998(2) 0.41113(18) 0.41711(13) 0.0171(4) Uani 1 1 d .
C17 C 0.4105(2) 0.38689(17) 0.48567(14) 0.0167(4) Uani 1 1 d .
C18 C 0.4100(2) 0.47360(17) 0.56821(14) 0.0178(4) Uani 1 1 d .
H8 H 0.3496 0.4550 0.6137 0.021 Uiso 1 1 calc R
C19 C -0.2321(2) -0.35820(17) -0.08682(14) 0.0182(4) Uani 1 1 d .
C20 C -0.2603(3) -0.44442(19) -0.17458(15) 0.0284(5) Uani 1 1 d .
H9 H -0.1772 -0.4513 -0.2093 0.034 Uiso 1 1 calc R
C21 C -0.4095(3) -0.5202(2) -0.21126(18) 0.0390(6) Uani 1 1 d .
H10 H -0.4292 -0.5787 -0.2715 0.047 Uiso 1 1 calc R
C22 C -0.5299(3) -0.5107(2) -0.1601(2) 0.0413(7) Uani 1 1 d .
H11 H -0.6313 -0.5653 -0.1841 0.050 Uiso 1 1 calc R
C23 C -0.5043(3) -0.4229(2) -0.07474(19) 0.0391(6) Uani 1 1 d .
H12 H -0.5885 -0.4148 -0.0413 0.047 Uiso 1 1 calc R
C24 C -0.3553(3) -0.3463(2) -0.03769(16) 0.0293(5) Uani 1 1 d .
H13 H -0.3372 -0.2857 0.0213 0.035 Uiso 1 1 calc R
C25 C 0.1050(2) 0.21008(17) 0.41716(13) 0.0175(4) Uani 1 1 d .
C26 C -0.0126(2) 0.14164(18) 0.45017(14) 0.0205(4) Uani 1 1 d .
H14 H 0.0121 0.1063 0.4913 0.025 Uiso 1 1 calc R
C27 C -0.1669(2) 0.12509(18) 0.42273(15) 0.0250(5) Uani 1 1 d .
H15 H -0.2477 0.0786 0.4452 0.030 Uiso 1 1 calc R
C28 C -0.2020(2) 0.17687(19) 0.36247(15) 0.0257(5) Uani 1 1 d .
H16 H -0.3071 0.1660 0.3442 0.031 Uiso 1 1 calc R
C29 C -0.0850(2) 0.24442(19) 0.32864(15) 0.0242(5) Uani 1 1 d .
H17 H -0.1103 0.2789 0.2870 0.029 Uiso 1 1 calc R
C30 C 0.0682(2) 0.26137(17) 0.35563(14) 0.0198(4) Uani 1 1 d .
H18 H 0.1484 0.3076 0.3326 0.024 Uiso 1 1 calc R
C31 C -0.0748(2) -0.34659(18) 0.28775(14) 0.0199(4) Uani 1 1 d .
H19 H -0.1282 -0.4287 0.2462 0.024 Uiso 1 1 calc R
H20 H -0.1405 -0.3262 0.3364 0.024 Uiso 1 1 calc R
C32 C 0.0796(2) -0.33841(18) 0.33390(14) 0.0208(4) Uani 1 1 d .
H21 H 0.1357 -0.2560 0.3739 0.025 Uiso 1 1 calc R
H22 H 0.1439 -0.3630 0.2856 0.025 Uiso 1 1 calc R
C33 C 0.0551(3) -0.41627(19) 0.39264(15) 0.0256(5) Uani 1 1 d .
H23 H -0.0056 -0.3890 0.4424 0.031 Uiso 1 1 calc R
H24 H -0.0065 -0.4976 0.3529 0.031 Uiso 1 1 calc R
C34 C 0.2050(3) -0.4166(2) 0.43671(17) 0.0348(6) Uani 1 1 d .
H25 H 0.2626 -0.4488 0.3879 0.052 Uiso 1 1 calc R
H26 H 0.1815 -0.4649 0.4756 0.052 Uiso 1 1 calc R
H27 H 0.2679 -0.3361 0.4751 0.052 Uiso 1 1 calc R
C35 C 0.3949(3) -0.02588(19) 0.11034(15) 0.0265(5) Uani 1 1 d .
H28 H 0.3861 -0.0123 0.0511 0.032 Uiso 1 1 calc R
H29 H 0.2943 -0.0816 0.1131 0.032 Uiso 1 1 calc R
C36 C 0.5217(3) -0.0823(2) 0.11051(17) 0.0344(6) Uani 1 1 d .
H30 H 0.4998 -0.1518 0.0528 0.041 Uiso 1 1 calc R
H31 H 0.6229 -0.0256 0.1100 0.041 Uiso 1 1 calc R
C37 C 0.5338(3) -0.1198(2) 0.19370(19) 0.0397(6) Uani 1 1 d .
H32 H 0.6209 -0.1510 0.1903 0.048 Uiso 1 1 calc R
H33 H 0.5592 -0.0496 0.2511 0.048 Uiso 1 1 calc R
C38 C 0.3905(3) -0.2105(3) 0.2010(2) 0.0526(8) Uani 1 1 d .
H34 H 0.3053 -0.1784 0.2097 0.079 Uiso 1 1 calc R
H35 H 0.4101 -0.2325 0.2543 0.079 Uiso 1 1 calc R
H36 H 0.3626 -0.2799 0.1440 0.079 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C1 P1 C19 104.82(9) . .
C1 P1 C8 91.79(9) . .
C19 P1 C8 108.03(9) . .
C1 P1 S1 118.97(7) . .
C19 P1 S1 113.77(8) . .
C8 P1 S1 116.87(7) . .
C10 P2 C17 91.81(9) . .
C10 P2 C25 105.07(9) . .
C17 P2 C25 106.73(9) . .
C10 P2 S2 119.62(8) . .
C17 P2 S2 116.32(8) . .
C25 P2 S2 114.45(7) . .
C2 C1 C6 121.12(18) . .
C2 C1 P1 128.12(15) . .
C6 C1 P1 110.60(14) . .
C1 C2 C3 119.85(18) . .
C1 C2 H1 120.1 . .
C3 C2 H1 120.1 . .
C2 C3 C4 118.54(17) . .
C2 C3 C31 121.32(18) . .
C4 C3 C31 120.14(18) . .
C5 C4 C3 122.01(18) . .
C5 C4 H2 119.0 . .
C3 C4 H2 119.0 . .
C6 C5 C4 119.20(18) . .
C6 C5 H3 120.4 . .
C4 C5 H3 120.4 . .
C5 C6 C1 119.27(17) . .
C5 C6 C7 126.99(18) . .
C1 C6 C7 113.74(17) . .
C9 C7 C8 119.84(17) . .
C9 C7 C6 126.91(17) . .
C8 C7 C6 113.24(17) . .
C9 C8 C7 121.88(18) 2 .
C9 C8 P1 127.62(15) 2 .
C7 C8 P1 110.49(14) . .
C8 C9 C7 118.28(18) 2 .
C8 C9 H4 120.9 2 .
C7 C9 H4 120.9 . .
C11 C10 C15 121.54(19) . .
C11 C10 P2 127.65(16) . .
C15 C10 P2 110.77(15) . .
C10 C11 C12 119.98(19) . .
C10 C11 H5 120.0 . .
C12 C11 H5 120.0 . .
C11 C12 C13 117.94(19) . .
C11 C12 C35 121.79(19) . .
C13 C12 C35 120.25(19) . .
C14 C13 C12 122.31(19) . .
C14 C13 H6 118.8 . .
C12 C13 H6 118.8 . .
C13 C14 C15 119.44(19) . .
C13 C14 H7 120.3 . .
C15 C14 H7 120.3 . .
C14 C15 C10 118.75(19) . .
C14 C15 C16 127.64(18) . .
C10 C15 C16 113.61(18) . .
C18 C16 C17 119.29(18) 2_666 .
C18 C16 C15 127.23(18) 2_666 .
C17 C16 C15 113.48(18) . .
C18 C17 C16 122.42(19) . .
C18 C17 P2 127.24(16) . .
C16 C17 P2 110.33(15) . .
C17 C18 C16 118.29(18) . 2_666
C17 C18 H8 120.9 . .
C16 C18 H8 120.9 2_666 .
C20 C19 C24 119.6(2) . .
C20 C19 P1 119.84(16) . .
C24 C19 P1 120.49(17) . .
C21 C20 C19 119.9(2) . .
C21 C20 H9 120.0 . .
C19 C20 H9 120.0 . .
C22 C21 C20 119.9(2) . .
C22 C21 H10 120.1 . .
C20 C21 H10 120.1 . .
C23 C22 C21 120.6(2) . .
C23 C22 H11 119.7 . .
C21 C22 H11 119.7 . .
C22 C23 C24 119.8(2) . .
C22 C23 H12 120.1 . .
C24 C23 H12 120.1 . .
C23 C24 C19 120.1(2) . .
C23 C24 H13 120.0 . .
C19 C24 H13 120.0 . .
C26 C25 C30 120.03(19) . .
C26 C25 P2 120.75(16) . .
C30 C25 P2 119.20(15) . .
C25 C26 C27 119.8(2) . .
C25 C26 H14 120.1 . .
C27 C26 H14 120.1 . .
C28 C27 C26 119.8(2) . .
C28 C27 H15 120.1 . .
C26 C27 H15 120.1 . .
C27 C28 C29 120.7(2) . .
C27 C28 H16 119.7 . .
C29 C28 H16 119.7 . .
C30 C29 C28 119.9(2) . .
C30 C29 H17 120.0 . .
C28 C29 H17 120.0 . .
C29 C30 C25 119.86(19) . .
C29 C30 H18 120.1 . .
C25 C30 H18 120.1 . .
C3 C31 C32 113.72(16) . .
C3 C31 H19 108.8 . .
C32 C31 H19 108.8 . .
C3 C31 H20 108.8 . .
C32 C31 H20 108.8 . .
H19 C31 H20 107.7 . .
C31 C32 C33 111.00(17) . .
C31 C32 H21 109.4 . .
C33 C32 H21 109.4 . .
C31 C32 H22 109.4 . .
C33 C32 H22 109.4 . .
H21 C32 H22 108.0 . .
C34 C33 C32 113.53(19) . .
C34 C33 H23 108.9 . .
C32 C33 H23 108.9 . .
C34 C33 H24 108.9 . .
C32 C33 H24 108.9 . .
H23 C33 H24 107.7 . .
C33 C34 H25 109.5 . .
C33 C34 H26 109.5 . .
H25 C34 H26 109.5 . .
C33 C34 H27 109.5 . .
H25 C34 H27 109.5 . .
H26 C34 H27 109.5 . .
C12 C35 C36 113.80(18) . .
C12 C35 H28 108.8 . .
C36 C35 H28 108.8 . .
C12 C35 H29 108.8 . .
C36 C35 H29 108.8 . .
H28 C35 H29 107.7 . .
C37 C36 C35 113.67(19) . .
C37 C36 H30 108.8 . .
C35 C36 H30 108.8 . .
C37 C36 H31 108.8 . .
C35 C36 H31 108.8 . .
H30 C36 H31 107.7 . .
C38 C37 C36 114.9(2) . .
C38 C37 H32 108.6 . .
C36 C37 H32 108.6 . .
C38 C37 H33 108.6 . .
C36 C37 H33 108.6 . .
H32 C37 H33 107.5 . .
C37 C38 H34 109.5 . .
C37 C38 H35 109.5 . .
H34 C38 H35 109.5 . .
C37 C38 H36 109.5 . .
H34 C38 H36 109.5 . .
H35 C38 H36 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 C1 1.807(2) .
P1 C19 1.811(2) .
P1 C8 1.816(2) .
P1 S1 1.9471(10) .
P2 C10 1.808(2) .
P2 C17 1.813(2) .
P2 C25 1.814(2) .
P2 S2 1.9444(11) .
C1 C2 1.388(3) .
C1 C6 1.402(3) .
C2 C3 1.395(3) .
C2 H1 0.9500 .
C3 C4 1.396(3) .
C3 C31 1.508(3) .
C4 C5 1.390(3) .
C4 H2 0.9500 .
C5 C6 1.389(3) .
C5 H3 0.9500 .
C6 C7 1.481(3) .
C7 C9 1.394(3) .
C7 C8 1.406(3) .
C8 C9 1.392(3) 2
C9 C8 1.392(3) 2
C9 H4 0.9500 .
C10 C11 1.393(3) .
C10 C15 1.401(3) .
C11 C12 1.399(3) .
C11 H5 0.9500 .
C12 C13 1.404(3) .
C12 C35 1.499(3) .
C13 C14 1.387(3) .
C13 H6 0.9500 .
C14 C15 1.398(3) .
C14 H7 0.9500 .
C15 C16 1.478(3) .
C16 C18 1.393(3) 2_666
C16 C17 1.409(3) .
C17 C18 1.385(3) .
C18 C16 1.393(3) 2_666
C18 H8 0.9500 .
C19 C20 1.390(3) .
C19 C24 1.392(3) .
C20 C21 1.385(3) .
C20 H9 0.9500 .
C21 C22 1.383(4) .
C21 H10 0.9500 .
C22 C23 1.376(4) .
C22 H11 0.9500 .
C23 C24 1.387(3) .
C23 H12 0.9500 .
C24 H13 0.9500 .
C25 C26 1.391(3) .
C25 C30 1.406(3) .
C26 C27 1.395(3) .
C26 H14 0.9500 .
C27 C28 1.389(3) .
C27 H15 0.9500 .
C28 C29 1.389(3) .
C28 H16 0.9500 .
C29 C30 1.382(3) .
C29 H17 0.9500 .
C30 H18 0.9500 .
C31 C32 1.524(3) .
C31 H19 0.9900 .
C31 H20 0.9900 .
C32 C33 1.529(3) .
C32 H21 0.9900 .
C32 H22 0.9900 .
C33 C34 1.517(3) .
C33 H23 0.9900 .
C33 H24 0.9900 .
C34 H25 0.9800 .
C34 H26 0.9800 .
C34 H27 0.9800 .
C35 C36 1.544(3) .
C35 H28 0.9900 .
C35 H29 0.9900 .
C36 C37 1.523(4) .
C36 H30 0.9900 .
C36 H31 0.9900 .
C37 C38 1.500(4) .
C37 H32 0.9900 .
C37 H33 0.9900 .
C38 H34 0.9800 .
C38 H35 0.9800 .
C38 H36 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_4
C19 P1 C1 C2 69.61(19) . .
C8 P1 C1 C2 178.79(18) . .
S1 P1 C1 C2 -58.92(19) . .
C19 P1 C1 C6 -105.77(15) . .
C8 P1 C1 C6 3.40(15) . .
S1 P1 C1 C6 125.69(12) . .
C6 C1 C2 C3 0.2(3) . .
P1 C1 C2 C3 -174.78(15) . .
C1 C2 C3 C4 0.3(3) . .
C1 C2 C3 C31 -179.99(17) . .
C2 C3 C4 C5 -0.7(3) . .
C31 C3 C4 C5 179.62(18) . .
C3 C4 C5 C6 0.5(3) . .
C4 C5 C6 C1 0.0(3) . .
C4 C5 C6 C7 179.34(18) . .
C2 C1 C6 C5 -0.3(3) . .
P1 C1 C6 C5 175.43(14) . .
C2 C1 C6 C7 -179.78(17) . .
P1 C1 C6 C7 -4.0(2) . .
C5 C6 C7 C9 4.2(3) . .
C1 C6 C7 C9 -176.36(18) . .
C5 C6 C7 C8 -176.77(18) . .
C1 C6 C7 C8 2.6(2) . .
C9 C7 C8 C9 0.1(3) . 2
C6 C7 C8 C9 -178.94(17) . 2
C9 C7 C8 P1 179.12(14) . .
C6 C7 C8 P1 0.1(2) . .
C1 P1 C8 C9 176.98(18) . 2
C19 P1 C8 C9 -76.80(19) . 2
S1 P1 C8 C9 53.0(2) . 2
C1 P1 C8 C7 -1.94(15) . .
C19 P1 C8 C7 104.27(15) . .
S1 P1 C8 C7 -125.94(12) . .
C8 C7 C9 C8 -0.1(3) . 2
C6 C7 C9 C8 178.81(17) . 2
C17 P2 C10 C11 -177.98(19) . .
C25 P2 C10 C11 -70.1(2) . .
S2 P2 C10 C11 60.1(2) . .
C17 P2 C10 C15 -0.37(15) . .
C25 P2 C10 C15 107.49(15) . .
S2 P2 C10 C15 -122.26(14) . .
C15 C10 C11 C12 -0.4(3) . .
P2 C10 C11 C12 176.92(16) . .
C10 C11 C12 C13 1.8(3) . .
C10 C11 C12 C35 -179.66(18) . .
C11 C12 C13 C14 -1.4(3) . .
C35 C12 C13 C14 -179.99(19) . .
C12 C13 C14 C15 -0.3(3) . .
C13 C14 C15 C10 1.7(3) . .
C13 C14 C15 C16 -177.83(19) . .
C11 C10 C15 C14 -1.3(3) . .
P2 C10 C15 C14 -179.11(15) . .
C11 C10 C15 C16 178.26(18) . .
P2 C10 C15 C16 0.5(2) . .
C14 C15 C16 C18 -1.4(3) . 2_666
C10 C15 C16 C18 179.00(19) . 2_666
C14 C15 C16 C17 179.18(19) . .
C10 C15 C16 C17 -0.4(2) . .
C18 C16 C17 C18 -0.7(3) 2_666 .
C15 C16 C17 C18 178.78(17) . .
C18 C16 C17 P2 -179.35(14) 2_666 .
C15 C16 C17 P2 0.1(2) . .
C10 P2 C17 C18 -178.46(18) . .
C25 P2 C17 C18 75.21(19) . .
S2 P2 C17 C18 -53.9(2) . .
C10 P2 C17 C16 0.16(15) . .
C25 P2 C17 C16 -106.17(15) . .
S2 P2 C17 C16 124.72(13) . .
C16 C17 C18 C16 0.7(3) . 2_666
P2 C17 C18 C16 179.11(15) . 2_666
C1 P1 C19 C20 -148.37(17) . .
C8 P1 C19 C20 114.74(18) . .
S1 P1 C19 C20 -16.77(19) . .
C1 P1 C19 C24 29.1(2) . .
C8 P1 C19 C24 -67.76(19) . .
S1 P1 C19 C24 160.74(16) . .
C24 C19 C20 C21 -2.1(3) . .
P1 C19 C20 C21 175.45(18) . .
C19 C20 C21 C22 -0.6(4) . .
C20 C21 C22 C23 3.2(4) . .
C21 C22 C23 C24 -2.9(4) . .
C22 C23 C24 C19 0.1(4) . .
C20 C19 C24 C23 2.3(3) . .
P1 C19 C24 C23 -175.17(18) . .
C10 P2 C25 C26 131.30(17) . .
C17 P2 C25 C26 -132.09(17) . .
S2 P2 C25 C26 -1.91(18) . .
C10 P2 C25 C30 -46.96(18) . .
C17 P2 C25 C30 49.66(18) . .
S2 P2 C25 C30 179.83(13) . .
C30 C25 C26 C27 -0.6(3) . .
P2 C25 C26 C27 -178.87(15) . .
C25 C26 C27 C28 0.1(3) . .
C26 C27 C28 C29 0.4(3) . .
C27 C28 C29 C30 -0.5(3) . .
C28 C29 C30 C25 0.1(3) . .
C26 C25 C30 C29 0.5(3) . .
P2 C25 C30 C29 178.80(15) . .
C2 C3 C31 C32 92.8(2) . .
C4 C3 C31 C32 -87.6(2) . .
C3 C31 C32 C33 177.38(17) . .
C31 C32 C33 C34 177.17(18) . .
C11 C12 C35 C36 -97.2(2) . .
C13 C12 C35 C36 81.3(3) . .
C12 C35 C36 C37 64.9(3) . .
C35 C36 C37 C38 61.3(3) . .
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-05-07T06:30:00+03:00
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 Replaced the '&#x009D;' sequence with a backslash symbol ('\')
 in the value of the '_refine_ls_weighting_details' data item.
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