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#$Date: 2022-05-07 03:17:08 +0300 (Sat, 07 May 2022) $
#$Revision: 275166 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/37/7103741.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_7103741
loop_
_publ_author_name
'In, Yasuko'
'Ohishi, Hirofumi'
'Ishida, Toshimasa'
'Igarashi, Yasuhiro'
_publ_section_title
;
 Concerted interaction between conjugated double bond CHs and multiple OHs
 in polyene macrolide antibiotic chainin: weak =C--H⋯O interactions
 responsible for intrinsic molecular assembly
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   14
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              1692
_journal_page_last               1693
_journal_paper_doi               10.1039/b303047d
_journal_year                    2003
_chemical_formula_sum            'C40 H61 Br O13 S'
_chemical_formula_weight         861.86
_chemical_name_common            Chainin-p-bromobenzenesulfonate
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5892(14)
_cell_length_b                   17.720(3)
_cell_length_c                   26.227(4)
_cell_measurement_reflns_used    2956
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.16
_cell_measurement_theta_min      2.41
_cell_volume                     4456.5(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT-Plus (Bruker, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'MacScience, M18XCE rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0775
_diffrn_reflns_av_sigmaI/netI    0.1330
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            25189
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        0.35
_exptl_absorpt_coefficient_mu    1.028
_exptl_absorpt_correction_T_max  0.9504
_exptl_absorpt_correction_T_min  0.6839
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.399
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.047
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.014(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.887
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         10240
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.887
_refine_ls_R_factor_all          0.1852
_refine_ls_R_factor_gt           0.0614
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0635P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1316
_refine_ls_wR_factor_ref         0.1603
_reflns_number_gt                3896
_reflns_number_total             10240
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b303047d.txt
_cod_data_source_block           Chainin-p-bromobenzenesulfonate
_cod_original_sg_symbol_H-M      'P2(1)2(1)2(1) '
_cod_database_code               7103741
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
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
Br1 Br 0.15377(11) 0.50535(4) 0.40086(2) 0.1354(4) Uani 1 1 d . . .
S1 S 0.1637(2) 0.24771(9) 0.57149(7) 0.0971(5) Uani 1 1 d . . .
O1 O 0.1728(3) 0.7426(2) 0.25025(14) 0.0866(11) Uani 1 1 d . . .
O1B O 0.2703(5) 0.1943(2) 0.5611(2) 0.1394(18) Uani 1 1 d . . .
O1M O 0.5791(4) 0.4137(2) 0.73686(15) 0.0958(12) Uani 1 1 d . . .
O2B O 0.0244(5) 0.2219(2) 0.57979(17) 0.1122(14) Uani 1 1 d . . .
O3 O 0.4927(3) 0.84061(19) 0.33716(12) 0.0686(9) Uani 1 1 d . . .
O5 O 0.4919(3) 0.7637(2) 0.42401(13) 0.0882(12) Uani 1 1 d . . .
O7 O 0.4849(3) 0.6748(2) 0.50510(13) 0.0780(10) Uani 1 1 d . . .
O9 O 0.4713(3) 0.5780(2) 0.58220(12) 0.0747(10) Uani 1 1 d . . .
O11 O 0.4393(3) 0.4827(2) 0.65881(13) 0.0872(11) Uani 1 1 d . . .
O13 O 0.2175(3) 0.29100(19) 0.61927(14) 0.0776(10) Uani 1 1 d . . .
O15 O -0.1749(3) 0.34300(19) 0.73044(13) 0.0787(10) Uani 1 1 d . . .
O26 O -0.3196(3) 0.80437(17) 0.25904(12) 0.0647(9) Uani 1 1 d . . .
O27 O 0.0502(3) 0.84937(17) 0.25748(13) 0.0617(9) Uani 1 1 d . . .
C1 C 0.1651(5) 0.8074(3) 0.26288(18) 0.0571(12) Uani 1 1 d . . .
C1B C 0.1616(8) 0.3166(3) 0.5236(2) 0.0838(16) Uani 1 1 d . . .
C1M C 0.5026(7) 0.4245(4) 0.7823(2) 0.099(2) Uani 1 1 d . . .
C1' C 0.3730(6) 0.8828(3) 0.2398(2) 0.0889(18) Uani 1 1 d . . .
C2 C 0.2833(5) 0.8521(3) 0.28483(19) 0.0607(13) Uani 1 1 d . . .
C2B C 0.2833(7) 0.3361(4) 0.4990(3) 0.0960(19) Uani 1 1 d . . .
C2' C 0.3055(8) 0.9325(5) 0.2017(4) 0.160(3) Uani 1 1 d . . .
C3 C 0.3666(5) 0.8027(2) 0.32127(18) 0.0562(12) Uani 1 1 d . . .
C3B C 0.2804(8) 0.3921(4) 0.4614(3) 0.097(2) Uani 1 1 d . . .
C3' C 0.4068(13) 0.9604(6) 0.1552(6) 0.225(7) Uani 1 1 d . . .
C4 C 0.2874(4) 0.7807(3) 0.36923(18) 0.0578(12) Uani 1 1 d . . .
C4B C 0.1581(11) 0.4275(3) 0.4494(2) 0.100(2) Uani 1 1 d . . .
C4' C 0.4902(19) 1.0146(10) 0.1765(5) 0.299(9) Uani 1 1 d . . .
C5 C 0.3668(5) 0.7271(3) 0.40380(18) 0.0634(13) Uani 1 1 d . . .
C5B C 0.0346(9) 0.4060(4) 0.4730(3) 0.103(2) Uani 1 1 d . . .
C6 C 0.2842(5) 0.6987(3) 0.44991(18) 0.0616(13) Uani 1 1 d . . .
C6B C 0.0383(8) 0.3503(4) 0.5099(3) 0.095(2) Uani 1 1 d . . .
C7 C 0.3626(5) 0.6413(3) 0.48228(18) 0.0620(13) Uani 1 1 d . . .
C8 C 0.2774(5) 0.6082(3) 0.52547(18) 0.0593(13) Uani 1 1 d . . .
C9 C 0.3514(5) 0.5471(3) 0.55645(18) 0.0627(13) Uani 1 1 d . . .
C10 C 0.2582(5) 0.5095(3) 0.59591(16) 0.0573(12) Uani 1 1 d . . .
C11 C 0.3315(5) 0.4499(3) 0.62712(18) 0.0635(13) Uani 1 1 d . . .
C12 C 0.2358(5) 0.4082(3) 0.66369(19) 0.0684(14) Uani 1 1 d . . .
C13 C 0.1328(5) 0.3539(3) 0.64116(18) 0.0646(13) Uani 1 1 d . . .
C14 C 0.0282(5) 0.3218(3) 0.6798(2) 0.0713(15) Uani 1 1 d . . .
C15 C -0.0927(5) 0.3759(3) 0.6904(2) 0.0687(15) Uani 1 1 d . . .
C16 C -0.1770(5) 0.3935(3) 0.64371(19) 0.0669(14) Uani 1 1 d . . .
C17 C -0.1573(5) 0.4589(3) 0.6197(2) 0.0690(14) Uani 1 1 d . . .
C18 C -0.2127(5) 0.4823(3) 0.5712(2) 0.0772(15) Uani 1 1 d . . .
C19 C -0.1659(6) 0.5414(3) 0.5455(2) 0.0772(15) Uani 1 1 d . . .
C20 C -0.2149(6) 0.5645(3) 0.4965(2) 0.0852(17) Uani 1 1 d . . .
C21 C -0.1623(6) 0.6223(3) 0.4703(2) 0.0808(16) Uani 1 1 d . . .
C22 C -0.2072(5) 0.6495(3) 0.42025(19) 0.0739(15) Uani 1 1 d . . .
C23 C -0.1530(6) 0.7081(3) 0.39689(19) 0.0714(14) Uani 1 1 d . . .
C24 C -0.2017(5) 0.7379(3) 0.34864(17) 0.0618(13) Uani 1 1 d . . .
C25 C -0.1466(5) 0.7977(3) 0.32687(18) 0.0600(13) Uani 1 1 d . . .
C26 C -0.1876(5) 0.8300(2) 0.27641(19) 0.0585(12) Uani 1 1 d . . .
C27 C -0.0754(4) 0.8150(3) 0.23646(18) 0.0568(12) Uani 1 1 d . . .
C28 C -0.2711(6) 0.3325(3) 0.6246(2) 0.0940(19) Uani 1 1 d . . .
C29 C -0.1040(6) 0.8504(3) 0.1861(2) 0.0893(18) Uani 1 1 d . . .
H1 H 0.2467 0.8966 0.3026 0.081 Uiso 1 1 d . . .
H2 H 0.3927 0.7568 0.3040 0.074 Uiso 1 1 d . . .
H3 H 0.2687 0.8274 0.3890 0.074 Uiso 1 1 d . . .
H4 H 0.1993 0.7600 0.3611 0.074 Uiso 1 1 d . . .
H5 H 0.3957 0.6839 0.3849 0.082 Uiso 1 1 d . . .
H6 H 0.2618 0.7416 0.4712 0.075 Uiso 1 1 d . . .
H7 H 0.1986 0.6777 0.4380 0.075 Uiso 1 1 d . . .
H8 H 0.3921 0.6000 0.4603 0.079 Uiso 1 1 d . . .
H9 H 0.2503 0.6485 0.5482 0.081 Uiso 1 1 d . . .
H10 H 0.1900 0.5879 0.5117 0.081 Uiso 1 1 d . . .
H11 H 0.3851 0.5082 0.5322 0.080 Uiso 1 1 d . . .
H12 H 0.2235 0.5484 0.6187 0.075 Uiso 1 1 d . . .
H13 H 0.1762 0.4883 0.5793 0.075 Uiso 1 1 d . . .
H14 H 0.3730 0.4126 0.6038 0.082 Uiso 1 1 d . . .
H15 H 0.2893 0.3822 0.6894 0.087 Uiso 1 1 d . . .
H16 H 0.1827 0.4474 0.6832 0.087 Uiso 1 1 d . . .
H17 H 0.0790 0.3787 0.6150 0.079 Uiso 1 1 d . . .
H18 H -0.0082 0.2747 0.6662 0.089 Uiso 1 1 d . . .
H19 H 0.0786 0.3087 0.7105 0.089 Uiso 1 1 d . . .
H20 H -0.0524 0.4233 0.7037 0.094 Uiso 1 1 d . . .
H21 H -0.0972 0.4977 0.6377 0.092 Uiso 1 1 d . . .
H22 H -0.2907 0.4543 0.5572 0.098 Uiso 1 1 d . . .
H23 H -0.0886 0.5724 0.5605 0.096 Uiso 1 1 d . . .
H24 H -0.2925 0.5388 0.4818 0.101 Uiso 1 1 d . . .
H25 H -0.0827 0.6494 0.4859 0.099 Uiso 1 1 d . . .
H26 H -0.2871 0.6224 0.4053 0.089 Uiso 1 1 d . . .
H27 H -0.0765 0.7324 0.4144 0.096 Uiso 1 1 d . . .
H28 H -0.2802 0.7109 0.3313 0.079 Uiso 1 1 d . . .
H29 H -0.0749 0.8233 0.3454 0.083 Uiso 1 1 d . . .
H30 H -0.1974 0.8848 0.2806 0.071 Uiso 1 1 d . . .
H31 H -0.0618 0.7613 0.2317 0.069 Uiso 1 1 d . . .
H32 H -0.3644 0.3498 0.6234 0.116 Uiso 1 1 d . . .
H33 H -0.2423 0.3158 0.5921 0.116 Uiso 1 1 d . . .
H34 H -0.2669 0.2901 0.6479 0.116 Uiso 1 1 d . . .
H35 H -0.1165 0.9030 0.1904 0.103 Uiso 1 1 d . . .
H36 H -0.0277 0.8419 0.1632 0.103 Uiso 1 1 d . . .
H37 H -0.1862 0.8292 0.1714 0.103 Uiso 1 1 d . . .
H38 H 0.4527 0.9110 0.2530 0.107 Uiso 1 1 d . . .
H39 H 0.4136 0.8394 0.2221 0.107 Uiso 1 1 d . . .
H40 H 0.2323 0.9007 0.1856 0.194 Uiso 1 1 d . . .
H41 H 0.2612 0.9715 0.2188 0.194 Uiso 1 1 d . . .
H42 H 0.4644 0.9207 0.1454 0.246 Uiso 1 1 d . . .
H43 H 0.3598 0.9843 0.1315 0.246 Uiso 1 1 d . . .
H44 H 0.5524 0.9931 0.2081 0.292 Uiso 1 1 d . . .
H45 H 0.5647 1.0343 0.1561 0.292 Uiso 1 1 d . . .
H46 H 0.4479 1.0567 0.1942 0.292 Uiso 1 1 d . . .
H47 H 0.3748 0.3146 0.5096 0.116 Uiso 1 1 d . . .
H48 H 0.3654 0.4054 0.4415 0.109 Uiso 1 1 d . . .
H49 H -0.0527 0.4328 0.4629 0.135 Uiso 1 1 d . . .
H50 H -0.0499 0.3344 0.5266 0.117 Uiso 1 1 d . . .
H51 H 0.5226 0.8631 0.3052 0.085 Uiso 1 1 d . . .
H52 H 0.5077 0.8039 0.3978 0.085 Uiso 1 1 d . . .
H53 H 0.5070 0.7199 0.4801 0.085 Uiso 1 1 d . . .
H54 H 0.5027 0.6191 0.5551 0.085 Uiso 1 1 d . . .
H55 H 0.4863 0.5237 0.6331 0.085 Uiso 1 1 d . . .
H56 H -0.3308 0.7408 0.2518 0.085 Uiso 1 1 d . . .
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
O1B S1 O2B 119.3(3) . . ?
O1B S1 O13 104.1(3) . . ?
O2B S1 O13 110.2(2) . . ?
O1B S1 C1B 109.6(3) . . ?
O2B S1 C1B 108.7(3) . . ?
O13 S1 C1B 103.7(2) . . ?
C13 O13 S1 119.8(3) . . ?
C1 O27 C27 119.2(4) . . ?
O1 C1 O27 123.7(5) . . ?
O1 C1 C2 124.5(5) . . ?
O27 C1 C2 111.7(4) . . ?
C6B C1B C2B 119.9(6) . . ?
C6B C1B S1 120.0(6) . . ?
C2B C1B S1 120.1(6) . . ?
C2' C1' C2 118.6(5) . . ?
C1 C2 C3 109.5(4) . . ?
C1 C2 C1' 108.1(4) . . ?
C3 C2 C1' 112.8(4) . . ?
C1B C2B C3B 119.4(6) . . ?
C1' C2' C3' 115.1(8) . . ?
O3 C3 C4 107.4(4) . . ?
O3 C3 C2 110.6(4) . . ?
C4 C3 C2 113.8(4) . . ?
C4B C3B C2B 120.4(6) . . ?
C4' C3' C2' 104.7(14) . . ?
C5 C4 C3 113.8(4) . . ?
C3B C4B C5B 120.1(6) . . ?
C3B C4B Br1 120.8(7) . . ?
C5B C4B Br1 119.1(7) . . ?
O5 C5 C4 110.5(4) . . ?
O5 C5 C6 106.5(4) . . ?
C4 C5 C6 114.7(4) . . ?
C6B C5B C4B 119.1(7) . . ?
C7 C6 C5 113.9(4) . . ?
C1B C6B C5B 121.1(7) . . ?
O7 C7 C8 106.7(4) . . ?
O7 C7 C6 110.9(4) . . ?
C8 C7 C6 114.2(4) . . ?
C7 C8 C9 114.9(4) . . ?
O9 C9 C10 108.4(4) . . ?
O9 C9 C8 110.5(4) . . ?
C10 C9 C8 113.6(4) . . ?
C11 C10 C9 113.7(4) . . ?
O11 C11 C10 111.3(4) . . ?
O11 C11 C12 105.3(4) . . ?
C10 C11 C12 113.6(4) . . ?
C13 C12 C11 117.5(4) . . ?
O13 C13 C12 105.8(4) . . ?
O13 C13 C14 109.4(4) . . ?
C12 C13 C14 114.1(4) . . ?
C15 C14 C13 112.5(4) . . ?
O15 C15 C16 112.7(4) . . ?
O15 C15 C14 107.0(4) . . ?
C16 C15 C14 113.0(4) . . ?
C17 C16 C28 123.8(5) . . ?
C17 C16 C15 119.4(5) . . ?
C28 C16 C15 116.7(5) . . ?
C16 C17 C18 128.0(5) . . ?
C19 C18 C17 123.6(5) . . ?
C18 C19 C20 125.1(6) . . ?
C21 C20 C19 124.1(6) . . ?
C20 C21 C22 127.2(6) . . ?
C23 C22 C21 124.3(5) . . ?
C22 C23 C24 124.7(5) . . ?
C25 C24 C23 123.0(5) . . ?
C24 C25 C26 126.0(4) . . ?
O26 C26 C25 113.4(4) . . ?
O26 C26 C27 110.7(4) . . ?
C25 C26 C27 110.9(4) . . ?
O27 C27 C29 108.1(4) . . ?
O27 C27 C26 104.5(4) . . ?
C29 C27 C26 114.0(4) . . ?
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
Br1 C4B 1.877(7) . ?
S1 O1B 1.419(4) . ?
S1 O2B 1.429(4) . ?
S1 O13 1.557(4) . ?
S1 C1B 1.751(6) . ?
O1 C1 1.196(5) . ?
O1M C1M 1.413(6) . ?
O3 C3 1.445(5) . ?
O5 C5 1.463(5) . ?
O7 C7 1.445(5) . ?
O9 C9 1.442(5) . ?
O11 C11 1.448(5) . ?
O13 C13 1.494(5) . ?
O15 C15 1.436(5) . ?
O26 C26 1.419(5) . ?
O27 C1 1.337(5) . ?
O27 C27 1.458(5) . ?
C1 C2 1.498(6) . ?
C1B C6B 1.372(8) . ?
C1B C2B 1.378(8) . ?
C1' C2' 1.481(9) . ?
C1' C2 1.560(7) . ?
C2 C3 1.523(6) . ?
C2B C3B 1.398(9) . ?
C2' C3' 1.634(14) . ?
C3 C4 1.520(6) . ?
C3B C4B 1.367(9) . ?
C3' C4' 1.37(2) . ?
C4 C5 1.518(6) . ?
C4B C5B 1.390(9) . ?
C5 C6 1.531(6) . ?
C5B C6B 1.382(9) . ?
C6 C7 1.524(6) . ?
C7 C8 1.514(6) . ?
C8 C9 1.528(6) . ?
C9 C10 1.521(6) . ?
C10 C11 1.509(6) . ?
C11 C12 1.519(6) . ?
C12 C13 1.501(7) . ?
C13 C14 1.536(7) . ?
C14 C15 1.531(7) . ?
C15 C16 1.500(7) . ?
C16 C17 1.331(6) . ?
C16 C28 1.496(7) . ?
C17 C18 1.439(7) . ?
C18 C19 1.324(7) . ?
C19 C20 1.429(7) . ?
C20 C21 1.332(7) . ?
C21 C22 1.462(7) . ?
C22 C23 1.313(7) . ?
C23 C24 1.449(7) . ?
C24 C25 1.315(6) . ?
C25 C26 1.494(7) . ?
C26 C27 1.525(6) . ?
C27 C29 1.487(7) . ?
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-05-07T03:15:00+03:00
;
 Replaced the '&#x00A5;' sequences with backslash symbols ('\')
 in multiple data values.
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30653087
