LMucko/crystallography-open-database huggingface dataset:
Methyl 7-methoxy-2-naphthoate
Prince, P.; Fronczek, F. R.; Gandour, R. D.; Acta Crystallographica Section C 47 (1991) 2226–2227; doi:10.1107/S010827019100361X

data_2000235
_publ_section_title
;
 Methyl 7-methoxy-2-naphthoate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2226
_journal_page_last               2227
_journal_paper_doi               10.1107/S010827019100361X
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C13 H12 O3'
_chemical_formula_sum            'C13 H12 O3'
_chemical_formula_weight         216.2
_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                 92.748(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.9886(2)
_cell_length_b                   11.7995(9)
_cell_length_c                   22.789(3)
_cell_volume                     1071.30(17)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.740
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_F_000             456
_cod_data_source_file            st0500.cif
_cod_data_source_block           st0500a
_cod_original_cell_volume        1071.3(3)
_cod_database_code               2000235
Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)
Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I.; Acta Crystallographica Section C 47 (1991) 2234–2236; doi:10.1107/S0108270191002226

data_2000236
_publ_section_title
;Structures of
 (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol
 (I) and
 (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2234
_journal_page_last               2236
_journal_paper_doi               10.1107/S0108270191002226
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C13 H24 O3 S'
_chemical_formula_weight         260.4
_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            16
_cell_length_a                   11.737(2)
_cell_length_b                   21.244(4)
_cell_length_c                   22.932(3)
_cell_volume                     5717.9(16)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.923
_exptl_crystal_density_diffrn    1.21
_exptl_crystal_F_000             2272
_cod_data_source_file            ha0034.cif
_cod_data_source_block           ha0034a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-08
;
_cod_original_cell_volume        5117.9(1.4)
_cod_original_formula_sum        'C13 H24 O3 S1'
_cod_database_code               2000236
Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)
Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I.; Acta Crystallographica Section C 47 (1991) 2234–2236; doi:10.1107/S0108270191002226

data_2000237
_publ_section_title
;Structures of
 (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol
 (I) and
 (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2234
_journal_page_last               2236
_journal_paper_doi               10.1107/S0108270191002226
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C14 H26 O3 S'
_chemical_formula_weight         274.4
_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                   8.651(2)
_cell_length_b                   11.920(4)
_cell_length_c                   14.256(3)
_cell_volume                     1470.1(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.895
_exptl_crystal_density_diffrn    1.24
_exptl_crystal_F_000             600
_cod_data_source_file            ha0034.cif
_cod_data_source_block           ha0034b
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-08
;
_cod_original_cell_volume        1470.1(6)
_cod_original_formula_sum        'C14 H26 O3 S1'
_cod_database_code               2000237
Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine
Honey, G. E.; Steel, P. J.; Acta Crystallographica Section C 47 (1991) 2247–2249; doi:10.1107/S0108270191005085

data_2000238
_publ_section_title
;
 Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2247
_journal_page_last               2249
_journal_paper_doi               10.1107/S0108270191005085
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C20 H14 N4'
_chemical_formula_weight         310.4
_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                 105.02(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.434(8)
_cell_length_b                   6.110(4)
_cell_length_c                   13.322(10)
_cell_volume                     741.7(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             324
_cod_data_source_file            ab0207.cif
_cod_data_source_block           ab0207a
_cod_original_cell_volume        741.7
_cod_database_code               2000238
Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine
Honey, G. E.; Steel, P. J.; Acta Crystallographica Section C 47 (1991) 2247–2249; doi:10.1107/S0108270191005085

data_2000239
_publ_section_title
;
 Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2247
_journal_page_last               2249
_journal_paper_doi               10.1107/S0108270191005085
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C20 H14 N4'
_chemical_formula_weight         310.4
_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                 91.21(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.224(5)
_cell_length_b                   11.530(6)
_cell_length_c                   8.978(6)
_cell_volume                     747.6(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.38
_exptl_crystal_F_000             324
_cod_data_source_file            ab0207.cif
_cod_data_source_block           ab0207b
_cod_original_cell_volume        747.7
_cod_database_code               2000239
Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt
King, Jnr, J. A.; Bryant, Jnr, G. L.; Acta Crystallographica Section C 47 (1991) 2249–2252; doi:10.1107/S0108270191005152

data_2000240
_publ_section_title
;
 Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple
 triethyl ammonium salt
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2249
_journal_page_last               2252
_journal_paper_doi               10.1107/S0108270191005152
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C13 H20 N1 O1,C24 H20 B1'
_chemical_formula_sum            'C37 H40 B N O'
_chemical_formula_weight         525.5
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.01(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.666(2)
_cell_length_b                   9.933(2)
_cell_length_c                   16.023(3)
_cell_volume                     1478.7(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.064
_exptl_crystal_density_diffrn    1.180
_exptl_crystal_F_000             564
_cod_data_source_file            cr0304.cif
_cod_data_source_block           cr0304a
_cod_original_cell_volume        1478.7
_cod_original_formula_sum        'C37 H40 B1 N1 O1'
_cod_database_code               2000240
Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt
King, Jnr, J. A.; Bryant, Jnr, G. L.; Acta Crystallographica Section C 47 (1991) 2249–2252; doi:10.1107/S0108270191005152

data_2000241
_publ_section_title
;
 Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple
 triethyl ammonium salt
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2249
_journal_page_last               2252
_journal_paper_doi               10.1107/S0108270191005152
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C13 H20 N1 O2,B1 F4'
_chemical_formula_sum            'C13 H20 B F4 N O2'
_chemical_formula_weight         309.1
_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                 104.46(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.196(3)
_cell_length_b                   13.442(3)
_cell_length_c                   12.718(3)
_cell_volume                     1522.3(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.114
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_F_000             648
_cod_data_source_file            cr0304.cif
_cod_data_source_block           cr0304b
_cod_original_cell_volume        1530.2
_cod_original_formula_sum        'C13 H20 B1 F4 N1 O2'
_cod_database_code               2000241
Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt
King, Jnr, J. A.; Bryant, Jnr, G. L.; Acta Crystallographica Section C 47 (1991) 2249–2252; doi:10.1107/S0108270191005152

data_2000242
_publ_section_title
;
 Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple
 triethyl ammonium salt
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2249
_journal_page_last               2252
_journal_paper_doi               10.1107/S0108270191005152
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C6 H16 N1,C24 H20 B1'
_chemical_formula_sum            'C30 H36 B N'
_chemical_formula_weight         421.4
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.71(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.282(2)
_cell_length_b                   14.338(6)
_cell_length_c                   9.551(4)
_cell_volume                     1196.6(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.061
_exptl_crystal_density_diffrn    1.170
_exptl_crystal_F_000             456
_cod_data_source_file            cr0304.cif
_cod_data_source_block           cr0304c
_cod_depositor_comments
;
 Marking atoms 'C(17)', 'C(19)', 'H(17A)', 'H(17B)', 'H(19A)', 'H(19B)',
 'H(19C)' and 'C(18)', 'C(20)', 'H(18A)', 'H(18B)', 'H(20A)', 'H(20B)',
 'H(20C)' as belonging to disorder sites '1' and '2' with the occupancies
 of 0.52(1) and 0.48(1) respectively after consulting the original
 publication.

 Antanas Vaitkus,
 2018-01-30
;
_cod_original_cell_volume        1196.7
_cod_original_formula_sum        'C30 H36 B1 N1'
_cod_database_code               2000242
Structure of 1,3-dinitronaphthalene
Ammon, H. L.; Acta Crystallographica Section C 47 (1991) 2252–2254; doi:10.1107/S0108270191003463

data_2000243
_publ_section_title
;
 Structure of 1,3-dinitronaphthalene
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2252
_journal_page_last               2254
_journal_paper_doi               10.1107/S0108270191003463
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C10 H6 N2 O4'
_chemical_formula_weight         218.2
_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                110.742(9)
_cell_angle_beta                 99.570(9)
_cell_angle_gamma                100.309(9)
_cell_formula_units_Z            2
_cell_length_a                   7.5552(8)
_cell_length_b                   7.7630(10)
_cell_length_c                   9.0730(10)
_cell_volume                     474.12(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.05
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_F_000             224
_cod_data_source_file            cr0316.cif
_cod_data_source_block           cr0316a
_cod_original_cell_volume        474.1(2)
_cod_database_code               2000243
Structure of hexaaquanickel(II) bromate
Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.; Acta Crystallographica Section C 47 (1991) 1786–1789; doi:10.1107/S0108270191002196

data_2000244
_publ_section_title
;
 Structure of hexaaquanickel(II) bromate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1786
_journal_page_last               1789
_journal_paper_doi               10.1107/S0108270191002196
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'H12 Ni1 O6,2(Br1 O3)'
_chemical_formula_sum            'Br2 H12 Ni O12'
_chemical_formula_weight         422.6
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2987(6)
_cell_length_b                   10.2987(6)
_cell_length_c                   10.2987(6)
_cell_volume                     1092.31(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    9.079
_exptl_crystal_density_diffrn    2.57
_exptl_crystal_F_000             824
_cod_data_source_file            cr0303.cif
_cod_data_source_block           cr0303a
_cod_original_cell_volume        1092.3(2)
_cod_original_formula_sum        'H12 Br2 Ni1 O12'
_cod_database_code               2000244
Structure of the metastable binary β-Mo~15~Se~19~
Gougeon, P.; Potel, M.; Sergent, M.; Acta Crystallographica, Section C: Crystal Structure Communications 47 (1991) 1791–1794; doi:10.1107/S0108270191003050

data_2000245
_publ_section_title
;
 Structure of the metastable binary \b-Mo~15~Se~19~
;
_journal_coden_ASTM              ACSCEE
_journal_coeditor_code           DU0274
_journal_issue                   9
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1791
_journal_page_last               1794
_journal_paper_doi               10.1107/S0108270191003050
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Mo15 Se19'
_chemical_formula_weight         2939.34
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                26.9810(10)
_cell_angle_beta                 26.9810(10)
_cell_angle_gamma                26.9810(10)
_cell_formula_units_Z            2
_cell_length_a                   20.3600(10)
_cell_length_b                   20.3600(10)
_cell_length_c                   20.3600(10)
_cell_volume                     1532.20(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    281.28
_exptl_crystal_density_diffrn    6.371
_exptl_crystal_F_000             2552
_cod_data_source_file            du0274.cif
_cod_data_source_block           du0274a
_cod_original_sg_symbol_H-M      'R -3 c {rhombohedral axes}'
_cod_database_code               2000245
Structure of high-pressure MnGeO~3~ ilmenite
Ross, N. L.; Reynard, B.; Guyot, F.; Acta Crystallographica Section C 47 (1991) 1794–1796; doi:10.1107/S0108270191003153

data_2000246
_publ_section_title
;
 Structure of high-pressure MnGeO~3~ ilmenite
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1794
_journal_page_last               1796
_journal_paper_doi               10.1107/S0108270191003153
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ge Mn O3'
_chemical_formula_weight         175.55
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.0148(5)
_cell_length_b                   5.0148(5)
_cell_length_c                   14.3240(10)
_cell_volume                     360.22(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7093
_exptl_absorpt_coefficient_mu    19.78
_exptl_crystal_density_diffrn    5.54
_exptl_crystal_F_000             486
_cod_data_source_file            li0067.cif
_cod_data_source_block           li0067a

_cod_original_cell_volume        311.97(7)
_cod_original_sg_symbol_H-M      'R -3 {hexagonal axes}'
_cod_original_formula_sum        'Ge1 Mn1 O3'
_cod_database_code               2000246
Structure of an anthracene derivative
Ulický, L.; Kožíšek, J.; Ječný, J.; Acta Crystallographica Section C 47 (1991) 1879–1881; doi:10.1107/S0108270191001166

data_2000247
_publ_section_title
;
 Structure of an anthracene derivative
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1879
_journal_page_last               1881
_journal_paper_doi               10.1107/S0108270191001166
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C16 H12 O5'
_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                   3.8500(10)
_cell_length_b                   23.73(3)
_cell_length_c                   13.667(9)
_cell_volume                     1248.6(18)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.903
_exptl_crystal_density_diffrn    1.51
_exptl_crystal_density_meas      1.50(2)
_exptl_crystal_F_000             592
_cod_data_source_file            ab0156.cif
_cod_data_source_block           ab0156a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        1249(2)
_cod_original_sg_symbol_H-M      P212121
_cod_original_formula_sum        C16H12O5
_cod_database_code               2000247
6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol
Barnes, J. C.; Horspool, W. M.; Mackie, F. I.; Acta Crystallographica Section C 47 (1991) 1881–1885; doi:10.1107/S0108270191001932

data_2000248
_publ_section_title
;
 6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and
 3-chloro-2-methyl-4,5,6-triphenylphenol
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1881
_journal_page_last               1885
_journal_paper_doi               10.1107/S0108270191001932
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C25 H18 Cl2 O'
_chemical_formula_weight         405.32
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.40(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.95(2)
_cell_length_b                   6.550(6)
_cell_length_c                   26.59(2)
_cell_volume                     4145(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.78
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_F_000             1680
_cod_data_source_file            li0064.cif
_cod_data_source_block           li0064a
_cod_original_cell_volume        4145.2
_cod_original_formula_sum        'C25 H18 Cl2 O1'
_cod_database_code               2000248