LMucko/crystallography-open-database huggingface dataset:
Structure of the dibenzyl sulfoxide adduct of <i>N</i>-triphenylstannyl-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide
Ng, S. W.; Chen, W.; Kumar Das, V. G.; Acta Crystallographica Section C 48 (1992) 2211–2213; doi:10.1107/S0108270192003299

data_2000383
_publ_section_title
;
 Structure of the dibenzyl sulfoxide adduct of
 <i>N</i>-triphenylstannyl-1,2-benzisothiazol-3(2<i>H</i>)-one
 1,1-dioxide
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2211
_journal_page_last               2213
_journal_paper_doi               10.1107/S0108270192003299
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C39 H33 N O4 S2 Sn'
_chemical_formula_weight         762.5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.512(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9026(7)
_cell_length_b                   19.6140(10)
_cell_length_c                   16.8211(9)
_cell_volume                     3585.9(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.864
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_F_000             1552
_cod_data_source_file            as0550.cif
_cod_data_source_block           as0550a
_cod_original_cell_volume        3585.8(8)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C39 H33 N1 O4 S2 Sn1'
_cod_database_code               2000383
Structure of <i>trans</i>-dicyanobis(triphenylphosphine)platinum(II) dimethanol solvate
Staples, R. J.; Khan, Md. N. I.; Wang, S.; Fackler, Jnr, J. P.; Acta Crystallographica Section C 48 (1992) 2213–2215; doi:10.1107/S0108270192003512

data_2000384
_publ_section_title
;
 Structure of <i>trans</i>-dicyanobis(triphenylphosphine)platinum(II)
 dimethanol solvate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2213
_journal_page_last               2215
_journal_paper_doi               10.1107/S0108270192003512
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C38 H30 N2 P2 Pt1,2(C1 H4 O1)'
_chemical_formula_sum            'C40 H38 N2 O2 P2 Pt'
_chemical_formula_weight         835.790
_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_H-M   'P -1'
_cell_angle_alpha                111.000(10)
_cell_angle_beta                 104.070(10)
_cell_angle_gamma                90.650(10)
_cell_formula_units_Z            1
_cell_length_a                   7.7360(10)
_cell_length_b                   10.406(2)
_cell_length_c                   12.111(3)
_cell_volume                     877.6(3)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7103
_exptl_absorpt_coefficient_mu    4.163
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_F_000             416
_cod_data_source_file            cr0418.cif
_cod_data_source_block           cr0418a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-06-16
;
_cod_original_cell_volume        877.7(3)
_cod_original_formula_sum        'C40 H38 N2 O2 P2 Pt1'
_cod_database_code               2000384
Structure of tetrakis(<i>N</i>,<i>N</i>-dimethylbenzenecarbothioamide-<i>S</i>)cadmium(II) diperchlorate monohydrate
Castiñeiras, A.; Gómez, M. C.; Hiller, W.; Acta Crystallographica Section C 48 (1992) 2215–2218; doi:10.1107/S0108270192004359

data_2000385
_publ_section_title
;Structure of
 tetrakis(<i>N</i>,<i>N</i>-dimethylbenzenecarbothioamide-<i>S</i>)cadmium(II)
 diperchlorate monohydrate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2215
_journal_page_last               2218
_journal_paper_doi               10.1107/S0108270192004359
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C36 H44 Cd1 N4 S4,2(Cl1 O4),H2 O1'
_chemical_formula_sum            'C36 H46 Cd Cl2 N4 O9 S4'
_chemical_formula_weight         990.33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.488(3)
_cell_length_b                   22.287(4)
_cell_length_c                   22.811(3)
_cell_volume                     8891(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    0.842
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_F_000             4064
_cod_data_source_file            bx0581.cif
_cod_data_source_block           bx0581a
_cod_depositor_comments
;
 Marking attached hydrogen comments.

 Antanas Vaitkus,
 2017-03-25
;
_cod_original_cell_volume        8890.8
_cod_original_formula_sum        'C36 H46 Cd1 Cl2 N4 O9 S4'
_cod_database_code               2000385
Structure of tetrakis(triphenylphosphine oxide)lithium dibromocuprate(I)
Fackler, Jnr, J. P.; López, C. A.; Winpenny, R. E. P.; Acta Crystallographica Section C 48 (1992) 2218–2220; doi:10.1107/S0108270192004396

data_2000386
_publ_section_title
;
 Structure of tetrakis(triphenylphosphine oxide)lithium
 dibromocuprate(I)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2218
_journal_page_last               2220
_journal_paper_doi               10.1107/S0108270192004396
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C72 H60 Li1 O4 P4,Br2 Cu1'
_chemical_formula_sum            'C72 H60 Br2 Cu Li O4 P4'
_chemical_formula_weight         1343.4
_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                70.20(5)
_cell_angle_beta                 69.07(6)
_cell_angle_gamma                63.68(6)
_cell_formula_units_Z            2
_cell_length_a                   14.600(10)
_cell_length_b                   16.280(10)
_cell_length_c                   17.130(10)
_cell_volume                     3329(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.66
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             1372
_cod_data_source_file            cr0305.cif
_cod_data_source_block           cr0305a
_cod_original_cell_volume        3328(5)
_cod_original_formula_sum        'C72 H60 Br2 Cu1 Li1 O4 P4'
_cod_database_code               2000386
Structure of (4-pentynoato-<i>O</i>,<i>O</i>'){tris[2-(diphenylphosphino)ethyl]phosphine}iron(II) tetraphenylborate
Linn, K.; Masi, D.; Mealli, C.; Bianchini, C.; Peruzzini, M.; Acta Crystallographica Section C 48 (1992) 2220–2222; doi:10.1107/S0108270192004554

data_2000387
_publ_section_title
;Structure of
 (4-pentynoato-<i>O</i>,<i>O</i>'){tris[2-(diphenylphosphino)ethyl]phosphine}iron(II)
 tetraphenylborate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2220
_journal_page_last               2222
_journal_paper_doi               10.1107/S0108270192004554
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C47 H47 Fe1 O2 P4,C24 H20 B1'
_chemical_formula_sum            'C71 H67 B Fe O2 P4'
_chemical_formula_weight         1142.9
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.63(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.296(3)
_cell_length_b                   12.304(4)
_cell_length_c                   19.061(2)
_cell_volume                     5993(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    3.39
_exptl_crystal_F_000             2404
_cod_data_source_file            li1002.cif
_cod_data_source_block           li1002a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C71 H67 B1 Fe1 O2 P4'
_cod_database_code               2000387
<i>cis</i>-1,1-Dimethyl-2,6-diphenyl-1-silacyclohexan-4-one
Barnes, C. L.; Soderquist, J. A.; Acta Crystallographica Section C 48 (1992) 2222–2224; doi:10.1107/S0108270192002828

data_2000388
_publ_section_title
;
 <i>cis</i>-1,1-Dimethyl-2,6-diphenyl-1-silacyclohexan-4-one
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2222
_journal_page_last               2224
_journal_paper_doi               10.1107/S0108270192002828
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H22 O Si'
_chemical_formula_weight         294.5
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.896(3)
_cell_length_b                   11.006(3)
_cell_length_c                   17.310(6)
_cell_volume                     1694.8(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.154
_exptl_crystal_density_meas      1.150
_exptl_crystal_F_000             632
_cod_data_source_file            gr0200.cif
_cod_data_source_block           gr0200a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        1695(2)
_cod_original_formula_sum        'C19 H22 O1 Si1'
_cod_database_code               2000388
Structure of 4-amino-5-phenyl-4<i>H</i>-1,2,4-triazole-3-thione
Ng, S. W.; Acta Crystallographica Section C 48 (1992) 2224–2225; doi:10.1107/S0108270192003305

data_2000389
_publ_section_title
;
 Structure of 4-amino-5-phenyl-4<i>H</i>-1,2,4-triazole-3-thione
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2224
_journal_page_last               2225
_journal_paper_doi               10.1107/S0108270192003305
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H8 N4 S'
_chemical_formula_weight         192.24
_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                81.822(7)
_cell_angle_beta                 84.638(8)
_cell_angle_gamma                78.682(9)
_cell_formula_units_Z            2
_cell_length_a                   6.1917(8)
_cell_length_b                   7.1417(6)
_cell_length_c                   9.9643(8)
_cell_volume                     426.68(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.317
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_F_000             200
_cod_data_source_file            as0566.cif
_cod_data_source_block           as0566a
_cod_original_cell_volume        426.67(8)
_cod_original_formula_sum        'C8 H8 N4 S1'
_cod_database_code               2000389
1-Acetyl-7-methoxy-2-naphthol
Prince, P.; Fronczek, F. R.; Gandour, R. D.; Acta Crystallographica Section C 48 (1992) 2225–2227; doi:10.1107/S0108270192003287

data_2000390
_publ_section_title
;
 1-Acetyl-7-methoxy-2-naphthol
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2225
_journal_page_last               2227
_journal_paper_doi               10.1107/S0108270192003287
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C13 H12 O3'
_chemical_formula_weight         216.2
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4946(10)
_cell_length_b                   13.437(2)
_cell_length_c                   10.8630(8)
_cell_volume                     1094.0(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.724
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_F_000             456
_cod_data_source_file            st0581.cif
_cod_data_source_block           st0581a
_cod_original_cell_volume        1094.0(4)
_cod_database_code               2000390
Structure of 2-phenylpyrimidinium 1-oxide
Leban, I.; Polanc, S.; Acta Crystallographica Section C 48 (1992) 2227–2229; doi:10.1107/S0108270192003391

data_2000391
_publ_section_title
;
 Structure of 2-phenylpyrimidinium 1-oxide
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2227
_journal_page_last               2229
_journal_paper_doi               10.1107/S0108270192003391
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H8 N2 O1'
_chemical_formula_sum            'C10 H8 N2 O'
_chemical_formula_weight         172.2
_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                   7.1890(10)
_cell_length_b                   10.141(2)
_cell_length_c                   11.302(2)
_cell_volume                     824.0(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.087
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_F_000             360
_cod_data_source_file            li1001.cif
_cod_data_source_block           li1001a
_cod_original_cell_volume        824.0(3)
_cod_original_formula_sum        'C10 H8 N2 O1'
_cod_database_code               2000391
Structure of tris(5-acetyl-3-thienyl)methane-ethanol (2/1) inclusion compound
Dillen, J. L. M.; Roos, H. M.; Acta Crystallographica Section C 48 (1992) 2229–2231; doi:10.1107/S0108270192003202

data_2000392
_publ_section_title
;
 Structure of tris(5-acetyl-3-thienyl)methane-ethanol (2/1) inclusion
 compound
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2229
_journal_page_last               2231
_journal_paper_doi               10.1107/S0108270192003202
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C38 H32 O6 S6,C2 H6 O1'
_chemical_formula_sum            'C20 H19 O3.5 S3'
_chemical_formula_weight         411.6
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_cell_setting           triclinic
_symmetry_equiv_pos_as_xyz       'x, y, z'
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                84.95(5)
_cell_angle_beta                 108.74(5)
_cell_angle_gamma                98.51(5)
_cell_formula_units_Z            2
_cell_length_a                   12.488(5)
_cell_length_b                   10.372(5)
_cell_length_c                   8.335(5)
_cell_volume                     1010.2(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.334
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_F_000             430
_cod_data_source_file            ge0310.cif
_cod_data_source_block           ge0310a
_cod_original_cell_volume        1010.0(10)
_cod_database_code               2000392
2-Hydroxy-4,4-dimethyl-2-(4-tolyl)-morpholinium bromide
Garcia, J. G.; Fronczek, F. R.; Gandour, R. D.; Acta Crystallographica Section C 48 (1992) 2231–2233; doi:10.1107/S0108270192003913

data_2000393
_publ_section_title
;
 2-Hydroxy-4,4-dimethyl-2-(4-tolyl)-morpholinium bromide
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2231
_journal_page_last               2233
_journal_paper_doi               10.1107/S0108270192003913
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C13 H20 N1 O2,Br1'
_chemical_formula_sum            'C13 H20 Br N O2'
_chemical_formula_weight         302.2
_chemical_name_systematic
;
 2-Hydroxy-4,4-dimethyl-2-(4-tolyl)-morpholinium bromide
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.39(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.697(2)
_cell_length_b                   12.741(3)
_cell_length_c                   12.940(2)
_cell_volume                     1394.9(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.91
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_F_000             624
_cod_data_source_file            hh0601.cif
_cod_data_source_block           hh0601a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        1394.9(8)
_cod_original_formula_sum        'C13 H20 Br1 N1 O2'
_cod_database_code               2000393
Structure of 1,4-bis(dibenzylamino)benzene
Rickert, C.; Pirotta, M.; Müller, T.; Acta Crystallographica Section C 48 (1992) 2233–2235; doi:10.1107/S0108270192004347

data_2000394
_publ_section_title
;
 Structure of 1,4-bis(dibenzylamino)benzene
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2233
_journal_page_last               2235
_journal_paper_doi               10.1107/S0108270192004347
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C34 H32 N2'
_chemical_formula_weight         468.68
_chemical_name_systematic        1,4-bis(dibenzylamino)benzene
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.34(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.766(3)
_cell_length_b                   5.604(2)
_cell_length_c                   15.897(3)
_cell_volume                     1304.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.064
_exptl_crystal_density_diffrn    1.19
_exptl_crystal_F_000             500
_cod_data_source_file            bx0575.cif
_cod_data_source_block           bx0575a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        1304.58
_cod_database_code               2000394
(±)-7,10,12-Triphenyl-7,8-dihydroacenaphtho[4,5-<i>c</i>]quinolizinium perchlorate
Anulewicz, R.; Woźniak, K.; Soroka, J. A.; Acta Crystallographica Section C 48 (1992) 2238–2240; doi:10.1107/S0108270192002841

data_2000395
_publ_section_title
;
 (+-)-7,10,12-Triphenyl-7,8-dihydroacenaphtho[4,5-<i>c</i>]quinolizinium
 perchlorate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2238
_journal_page_last               2240
_journal_paper_doi               10.1107/S0108270192002841
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C37 H28 N1,Cl1 O4'
_chemical_formula_sum            'C37 H28 Cl N O4'
_chemical_formula_weight         586.09
_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                111.89(5)
_cell_angle_beta                 110.28(10)
_cell_angle_gamma                91.19(7)
_cell_formula_units_Z            2
_cell_length_a                   11.738(8)
_cell_length_b                   12.879(10)
_cell_length_c                   11.027(5)
_cell_volume                     1429(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.710690
_exptl_absorpt_coefficient_mu    0.135
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_F_000             612
_cod_data_source_file            ab0257.cif
_cod_data_source_block           ab0257a
_cod_original_cell_volume        1429.3
_cod_original_formula_sum        'C37 H28 Cl1 N1 O4'
_cod_database_code               2000395
Structures of three tetrahydrofurofurane-type lignanes
Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.; Acta Crystallographica Section C 48 (1992) 2240–2244; doi:10.1107/S0108270192003901

data_2000396
_publ_section_title
;
 Structures of three tetrahydrofurofurane-type lignanes
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2240
_journal_page_last               2244
_journal_paper_doi               10.1107/S0108270192003901
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C24 H26 O9,H2 O1'
_chemical_formula_sum            'C24 H28 O10'
_chemical_formula_weight         476.5
_chemical_name_systematic
;
 4,4'-(tetrahydro-1-hydroxy-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2-methoxyphenyl)
 diacetate  monohydrate
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.230(2)
_cell_length_b                   7.7020(10)
_cell_length_c                   42.420(5)
_cell_volume                     2362.2(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.84
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_F_000             1008
_cod_data_source_file            hh0597.cif
_cod_data_source_block           hh0597a
_cod_depositor_comments
;
 Adding the atomic displacement parameter values after consulting the original
 publication.

 Antanas Vaitkus,
 2018-02-08

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-08
;
_cod_original_cell_volume        2362.2(11)
_cod_database_code               2000396