LMucko/crystallography-open-database huggingface dataset:
Structure of diaquadichlorobis(hydrazinium)iron(II) dichloride
Kumar, N. R. S.; Nethaji, M.; Acta Crystallographica Section C 48 (1992) 1105–1107; doi:10.1107/S010827019101329X

data_2000843
_publ_section_title
;
 Structure of diaquadichlorobis(hydrazinium)iron(II) dichloride
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1105
_journal_page_last               1107
_journal_paper_doi               10.1107/S010827019101329X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl4 Fe H14 N4 O2'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.080(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.0270(10)
_cell_length_b                   5.725(2)
_cell_length_c                   11.430(2)
_cell_volume                     521.3(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    1.910
_exptl_crystal_density_meas      1.92
_exptl_crystal_F_000             304
_cod_data_source_file            ab0163.cif
_cod_data_source_block           ab0163a
_cod_original_formula_sum        'Cl4 Fe1 H14 N4 O2'
_cod_database_code               2000843
Structure of potassium 5-fluoro-5,6-dihydrouracil-6-sulfonate monohydrate
Antolini, L.; Pecorari, P.; Acta Crystallographica Section C 48 (1992) 1107–1109; doi:10.1107/S0108270191013550

data_2000844
_publ_section_title
;
 Structure of potassium 5-fluoro-5,6-dihydrouracil-6-sulfonate
 monohydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1107
_journal_page_last               1109
_journal_paper_doi               10.1107/S0108270191013550
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C4 H4 F1 N2 O5 S1,K1,H2 O1'
_chemical_formula_sum            'C4 H6 F K N2 O6 S'
_chemical_formula_weight         268.26
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                74.150(10)
_cell_angle_beta                 74.320(10)
_cell_angle_gamma                72.270(10)
_cell_formula_units_Z            2
_cell_length_a                   6.7300(10)
_cell_length_b                   8.3660(10)
_cell_length_c                   8.8350(10)
_cell_volume                     446.19(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.843
_exptl_crystal_density_diffrn    1.92
_exptl_crystal_F_000             272
_cod_data_source_file            ge0289.cif
_cod_data_source_block           ge0289a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-08
;
_cod_original_cell_volume        446.2(9)
_cod_original_formula_sum        'C4 H6 F1 K1 N2 O6 S1'
_cod_database_code               2000844
Structure of [<i>N</i>-(2-mercaptophenyl)salicylideneaminato-<i>N</i>,<i>O</i>,<i>S</i>]dimethyltin(IV)
Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.; Acta Crystallographica Section C 48 (1992) 1109–1110; doi:10.1107/S0108270191013045

data_2000845
_publ_section_title
;Structure of
 [<i>N</i>-(2-mercaptophenyl)salicylideneaminato-<i>N</i>,<i>O</i>,<i>S</i>]dimethyltin(IV)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1109
_journal_page_last               1110
_journal_paper_doi               10.1107/S0108270191013045
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H15 N O S Sn'
_chemical_formula_weight         376.04
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.200(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.623(2)
_cell_length_b                   8.2020(10)
_cell_length_c                   18.757(3)
_cell_volume                     1471.8(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.87
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_meas      1.688
_exptl_crystal_F_000             744
_cod_data_source_file            li0115.cif
_cod_data_source_block           li0115a
_cod_original_cell_volume        1471.79(7)
_cod_original_formula_sum        'C15 H15 N1 O1 S1 Sn1'
_cod_database_code               2000845
Structure of <i>trans</i>(Cl,Cl),<i>trans</i>(P,P)-dichlorobis{[2-(dimethylphosphino)ethyl]amine-<i>N</i>,<i>P</i>}iridium(III) hexafluorophosphate, [IrCl~2~(edmp)~2~].PF~6~
Uekusa, H.; Ohba, S.; Simonsen, K. P.; Kojima, M.; Fujita, J.; Acta Crystallographica Section C 48 (1992) 1111–1112; doi:10.1107/S0108270191013185

data_2000846
_publ_section_title
;Structure of
 <i>trans</i>(Cl,Cl),<i>trans</i>(P,P)-dichlorobis{[2-(dimethylphosphino)ethyl]amine-<i>N</i>,<i>P</i>}iridium(III)
 hexafluorophosphate, [IrCl~2~(edmp)~2~].PF~6~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1111
_journal_page_last               1112
_journal_paper_doi               10.1107/S0108270191013185
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C8 H24 Cl2 Ir1 N2 P2,F6 P1'
_chemical_formula_sum            'C8 H24 Cl2 F6 Ir N2 P3'
_chemical_formula_weight         618.3
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   23.659(8)
_cell_length_b                   32.794(10)
_cell_length_c                   10.042(5)
_cell_volume                     7791(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.44
_exptl_crystal_density_diffrn    2.13
_exptl_crystal_density_meas      2.11
_exptl_crystal_F_000             4736
_cod_data_source_file            as0553.cif
_cod_data_source_block           as0553a
_cod_original_sg_symbol_H-M      'F dd2'
_cod_original_formula_sum        'C8 H24 Cl2 F6 Ir1 N2 P3'
_cod_database_code               2000846
Trichloromethoxytin(IV) dimethanolate, SnCl~3~(OCH~3~).2CH~3~OH
Reuter, H.; Schröder, D.; Acta Crystallographica Section C 48 (1992) 1112–1114; doi:10.1107/S0108270191013288

data_2000847
_publ_section_title
;
 Trichloromethoxytin(IV) dimethanolate, SnCl~3~(OCH~3~).2CH~3~OH
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1112
_journal_page_last               1114
_journal_paper_doi               10.1107/S0108270191013288
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C1 H3 Cl3 O1 Sn1,2(C1 H4 O1)'
_chemical_formula_sum            'C3 H11 Cl3 O3 Sn'
_chemical_formula_weight         320.19
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                93.88(2)
_cell_angle_beta                 102.04(3)
_cell_angle_gamma                114.80(2)
_cell_formula_units_Z            2
_cell_length_a                   7.552(2)
_cell_length_b                   8.114(2)
_cell_length_c                   9.714(4)
_cell_volume                     520.3(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.957
_exptl_crystal_density_diffrn    2.045
_exptl_crystal_F_000             308
_cod_data_source_file            bx0564.cif
_cod_data_source_block           bx0564a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        520.3(4)
_cod_original_formula_sum        'C3 H11 Cl3 O3 Sn1'
_cod_database_code               2000847
Structure of aqua{[3,3'-(1,3-propanediyldinitrilo)bis(2-butanone oximato)]-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(2,2,2-trifluoroethyl)cobalt(III) hexafluorophosphate
Geremia, S.; Rahman, A.; Zangrando, E.; Acta Crystallographica Section C 48 (1992) 1114–1116; doi:10.1107/S0108270191013562

data_2000848
_publ_section_title
;Structure of aqua{[3,3'-(1,3-propanediyldinitrilo)bis(2-butanone
 oximato)]-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(2,2,2-trifluoroethyl)cobalt(III)
 hexafluorophosphate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1114
_journal_page_last               1116
_journal_paper_doi               10.1107/S0108270191013562
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C13 H23 Co1 F3 N4 O3,F6 P1'
_chemical_formula_sum            'C13 H23 Co F9 N4 O3 P'
_chemical_formula_weight         544.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.05(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.906(3)
_cell_length_b                   14.545(3)
_cell_length_c                   21.236(9)
_cell_volume                     2106.6(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.98
_exptl_crystal_density_diffrn    1.72
_exptl_crystal_F_000             1104
_cod_data_source_file            ge0283.cif
_cod_data_source_block           ge0283a
_cod_original_cell_volume        2106.0(10)
_cod_original_formula_sum        'C13 H23 Co1 F9 N4 O3 P1'
_cod_database_code               2000848
Structure of the methyl ester of everninic acid (methyl 2-hydroxy-4-methoxy-6-methylbenzoate)
Blaser, D.; Stoeckli-Evans, H.; Acta Crystallographica Section C 48 (1992) 1124–1125; doi:10.1107/S0108270191012738

data_2000849
_publ_section_title
;
 Structure of the methyl ester of everninic acid (methyl
 2-hydroxy-4-methoxy-6-methylbenzoate)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1124
_journal_page_last               1125
_journal_paper_doi               10.1107/S0108270191012738
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H12 O4'
_chemical_formula_sum            'C10 H12 O4'
_chemical_formula_weight         196.2
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.360(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.418(2)
_cell_length_b                   7.9890(10)
_cell_length_c                   11.231(2)
_cell_volume                     983.0(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_meas      1.30
_exptl_crystal_F_000             416
_cod_data_source_file            al0507.cif
_cod_data_source_block           al0507a
_cod_original_cell_volume        983.0
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000849
Structure of 2-methoxy methyl β-orcinol carboxylate (methyl 4-hydroxy-2-methoxy-3,6-dimethylbenzoate)
Blaser, D.; Gunzinger, J.; Stoeckli-Evans, H.; Tabacchi, R.; Acta Crystallographica Section C 48 (1992) 1126–1127; doi:10.1107/S010827019101274X

data_2000850
_publ_section_title
;
 Structure of 2-methoxy methyl \b-orcinol carboxylate (methyl
 4-hydroxy-2-methoxy-3,6-dimethylbenzoate)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1126
_journal_page_last               1127
_journal_paper_doi               10.1107/S010827019101274X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C11 H14 O4'
_chemical_formula_sum            'C11 H14 O4'
_chemical_formula_weight         210.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.810(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.9310(10)
_cell_length_b                   7.9500(10)
_cell_length_c                   8.9290(10)
_cell_volume                     548.97(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.09
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_meas      1.27
_exptl_crystal_F_000             224
_cod_data_source_file            al0508.cif
_cod_data_source_block           al0508a
_cod_original_cell_volume        549.0
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2000850
Structure of 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3<i>H</i>-naphtho[2,1-<i>b</i>]azepine
Halfpenny, J.; Acta Crystallographica Section C 48 (1992) 1127–1129; doi:10.1107/S0108270191012349

data_2000851
_publ_section_title
;
 Structure of
 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3<i>H</i>-naphtho[2,1-<i>b</i>]azepine
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1127
_journal_page_last               1129
_journal_paper_doi               10.1107/S0108270191012349
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C26 H13 F6 N1'
_chemical_formula_sum            'C26 H13 F6 N'
_chemical_formula_weight         455.4
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.00(10)
_cell_angle_beta                 106.20(10)
_cell_angle_gamma                91.40(10)
_cell_formula_units_Z            2
_cell_length_a                   13.590(10)
_cell_length_b                   10.620(10)
_cell_length_c                   7.590(10)
_cell_volume                     980(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.085
_exptl_crystal_density_diffrn    1.54
_exptl_crystal_F_000             460
_cod_data_source_file            al0494.cif
_cod_data_source_block           al0494a
_cod_original_cell_volume        979.74
_cod_original_formula_sum        'C26 H13 F6 N1'
_cod_database_code               2000851
Structure cristalline du [1]benzopyrano[6,5,4-<i>def</i>][1]benzopyrane (1,6-dioxapyrène)
Bideau, J.-P.; Cotrait, M.; Buisson, J.-P.; Demerseman, P.; Acta Crystallographica Section C 48 (1992) 1129–1131; doi:10.1107/S0108270191012647

data_2000852
_publ_section_title
;
 Structure cristalline du
 [1]benzopyrano[6,5,4-<i>def</i>][1]benzopyrane (1,6-dioxapyr\`ene)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1129
_journal_page_last               1131
_journal_paper_doi               10.1107/S0108270191012647
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H8 O2'
_chemical_formula_weight         208.2
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.127(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.027(4)
_cell_length_b                   3.9220(10)
_cell_length_c                   13.396(6)
_cell_volume                     473.6(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.747
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_F_000             216
_cod_data_source_file            pa0245.cif
_cod_data_source_block           pa0245a
_cod_original_cell_volume        473.6
_cod_database_code               2000852
Structure of 2-(fluoromethyl)-2-[(<i>p</i>-tolylsulfinyl)methyl]oxirane
Fabrizi, G.; Fedeli, W.; Lamba, D.; Acta Crystallographica Section C 48 (1992) 1131–1133; doi:10.1107/S0108270191013574

data_2000853
_publ_section_title
;
 Structure of
 2-(fluoromethyl)-2-[(<i>p</i>-tolylsulfinyl)methyl]oxirane
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1131
_journal_page_last               1133
_journal_paper_doi               10.1107/S0108270191013574
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C11 H13 F O2 S'
_chemical_formula_weight         228.28
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.7620(10)
_cell_length_b                   11.196(4)
_cell_length_c                   21.421(7)
_cell_volume                     1142.1(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    2.43
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_F_000             480
_cod_data_source_file            ge0292.cif
_cod_data_source_block           ge0292a
_cod_original_formula_sum        'C11 H13 F1 O2 S1'
_cod_database_code               2000853
2,2,6,6-Tetramethyl-4-oxopiperidinium hexafluorophosphate
Simpson, S. J.; Acta Crystallographica Section C 48 (1992) 1137–1138; doi:10.1107/S0108270191013252

data_2000854
_publ_section_title
;
 2,2,6,6-Tetramethyl-4-oxopiperidinium hexafluorophosphate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1137
_journal_page_last               1138
_journal_paper_doi               10.1107/S0108270191013252
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C9 H18 N1 O1,F6 P1'
_chemical_formula_sum            'C9 H18 F6 N O P'
_chemical_formula_weight         301.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.77(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.752(4)
_cell_length_b                   7.539(3)
_cell_length_c                   12.096(7)
_cell_volume                     676.9(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.254
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_F_000             312
_cod_data_source_file            he0037.cif
_cod_data_source_block           he0037a
_cod_original_cell_volume        676.8(6)
_cod_original_sg_symbol_H-M      'P c'
_cod_original_formula_sum        'C9 H18 F6 N1 O1 P1'
_cod_database_code               2000854
Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer
Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.; Acta Crystallographica Section C 48 (1992) 1145–1148; doi:10.1107/S0108270191013379

data_2000855
_publ_section_title
;
 Structure of a protected C3-C10 subunit of erythromycin and its C8
 epimer
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1145
_journal_page_last               1148
_journal_paper_doi               10.1107/S0108270191013379
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H26 O4 S2'
_chemical_formula_weight         334.49
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                83.60(3)
_cell_angle_beta                 83.41(2)
_cell_angle_gamma                89.52(2)
_cell_formula_units_Z            2
_cell_length_a                   6.460(2)
_cell_length_b                   8.917(3)
_cell_length_c                   15.616(5)
_cell_volume                     888.0(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.2980
_exptl_crystal_density_diffrn    1.25
_exptl_crystal_F_000             360
_cod_data_source_file            st0549.cif
_cod_data_source_block           st0549a
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-14
;
_cod_database_code               2000855
Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer
Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.; Acta Crystallographica Section C 48 (1992) 1145–1148; doi:10.1107/S0108270191013379

data_2000856
_publ_section_title
;
 Structure of a protected C3-C10 subunit of erythromycin and its C8
 epimer
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1145
_journal_page_last               1148
_journal_paper_doi               10.1107/S0108270191013379
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H26 O4 S2'
_chemical_formula_weight         334.49
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.878(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1849(8)
_cell_length_b                   8.9456(14)
_cell_length_c                   12.0258(14)
_cell_volume                     864.69(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.306
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_F_000             360
_cod_data_source_file            st0549.cif
_cod_data_source_block           st0549b
_cod_original_cell_volume        864.7(2)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2000856