LMucko/crystallography-open-database huggingface dataset:
Structure du p-crésol à basse témperature
Bois, C.; Acta Crystallographica Section B 26 (1970) 2086–2092; doi:10.1107/S0567740870005411

data_5000173
_publ_section_title
;
 Structure du p-cr\'esol \`a basse t\'emperature
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              2086
_journal_page_last               2092
_journal_paper_doi               10.1107/S0567740870005411
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'C7 H8 O'
_space_group_IT_number           14
_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                 99.07(50)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.70(2)
_cell_length_b                   11.71(3)
_cell_length_c                   18.13(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C7 H8 O1'
_cod_database_code               5000173
Solvent-Shared and Solvent-Separated Ion Multiples of Perylene Radical Anions and Dianions: An Exemplary Case of Alkali Metal Cation Solvation
Näther, Christian; Bock, Hans; Havlas, Zdenek; Hauck, Tim; Organometallics 17 (1998) 4707–4715; doi:10.1021/om970610g

data_5000174
_publ_section_title
;
 Solvent-Shared and Solvent-Separated Ion Multiples of Perylene Radical
 Anions and Dianions: An Exemplary Case of Alkali Metal Cation Solvation
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              4707
_journal_page_last               4715
_journal_paper_doi               10.1021/om970610g
_journal_volume                  17
_journal_year                    1998
_chemical_formula_sum            'C20 H12'
_space_group_IT_number           14
_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                 100.53(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.270(1)
_cell_length_b                   10.839(1)
_cell_length_c                   11.278(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               5000174
Graham, A. J.; Akrigg, D.; Sheldrick, B.; Crystal Structure Communications 6 (1977) 281–; doi:

data_5000175
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              281
_journal_volume                  6
_journal_year                    1977
_chemical_formula_sum            'C10 H19 N5 O'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.21(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.74(1)
_cell_length_b                   9.804(1)
_cell_length_c                   12.076(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C10 H19 N5 O1'
_cod_database_code               5000175
Crystal Structures of the cis - and trans -Chlordanes and Their Photoisomers
Knox, J. R.; Raston, C. L.; White, A. H.; Australian Journal of Chemistry 32 (1979) 553–565; doi:10.1071/CH9790553

data_5000176
_publ_section_title
;
 Crystal Structures of the cis - and trans -Chlordanes and Their Photoisomers
;
_journal_issue                   3
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              553
_journal_page_last               565
_journal_paper_doi               10.1071/CH9790553
_journal_volume                  32
_journal_year                    1979
_chemical_formula_sum            'C10 H6 Cl8'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.38(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.762(5)
_cell_length_b                   7.694(2)
_cell_length_c                   12.526(4)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               5000176
Charge Density Study of the Polymorphs of p-Nitrophenol
Kulkarni, G. U.; Kumaradhas, P.; Rao, C. N. R.; Chemistry of Materials 10 (1998) 3498–3505; doi:10.1021/cm980277m

data_5000177
_publ_section_title
;
 Charge Density Study of the Polymorphs of p-Nitrophenol
;
_journal_coden_ASTM              CMATEX
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3498
_journal_page_last               3505
_journal_paper_doi               10.1021/cm980277m
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'C6 H5 N O3'
_space_group_IT_number           14
_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                 103.390(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1664(1)
_cell_length_b                   8.8366(3)
_cell_length_c                   11.5435(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C6 H5 N1 O3'
_cod_database_code               5000177
Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds
Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto; Journal of the American Chemical Society 121 (1999) 4968–4976; doi:10.1021/ja983950h

data_5000178
_publ_section_title
;
 Construction of Metal Sandwich Systems Derived from Assembly of Silver(I)
 Complexes with Polycyclic Aromatic Compounds
;
_journal_coden_ASTM              JACSAT
_journal_issue                   21
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4968
_journal_page_last               4976
_journal_paper_doi               10.1021/ja983950h
_journal_volume                  121
_journal_year                    1999
_chemical_formula_sum            'C16 H10'
_space_group_IT_number           14
_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                 109.88(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.398(4)
_cell_length_b                   6.232(3)
_cell_length_c                   19.902(3)
_cod_duplicate_entry             4116398
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-09

 Marked entry as a duplicate of entry 4116398.

 Antanas Vaitkus,
 2019-10-09
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               5000178
Structure of fluorene, C~13~H~10~, at 159 K
Gerkin, R. E.; Lundstedt, A. P.; Reppart, W. J.; Acta Crystallographica Section C 40 (1984) 1892–1894; doi:10.1107/S0108270184009963

data_5000179
_publ_section_title
;
 Structure of fluorene, C~13~H~10~, at 159 K
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1892
_journal_page_last               1894
_journal_paper_doi               10.1107/S0108270184009963
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        synthetic
_chemical_formula_sum            'C13 H10'
_chemical_name_mineral           Kratochvilite
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.365(3)
_cell_length_b                   18.745(4)
_cell_length_c                   5.654(2)
_cell_volume                     886.558
_diffrn_ambient_temperature      159
_exptl_crystal_density_diffrn    1.245
_cod_duplicate_entry             9007708
_cod_database_code               5000179
Polymorphism in pentacene
Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; de Boer, Jan L.; Palstra, Thomas T. M.; Acta Crystallographica Section C 57 (2001) 939–941; doi:10.1107/S010827010100703X

data_5000180
_publ_section_title
;
 Polymorphism in pentacene
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              939
_journal_page_last               941
_journal_paper_doi               10.1107/S010827010100703X
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'C22 H14'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.978(3)
_cell_angle_beta                 88.136(3)
_cell_angle_gamma                84.415(3)
_cell_formula_units_Z            2
_cell_length_a                   6.239(1)
_cell_length_b                   7.636(1)
_cell_length_c                   14.330(2)
_cod_duplicate_entry             2012158
_cod_database_code               5000180
Orientational disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K
Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B.; Acta Crystallographica Section B 46 (1990) 830–832; doi:10.1107/S0108768190007510

data_5000181
_publ_section_title
;
 Orientational disorder in phenanthrene. Structure determination
 at 248, 295, 339 and 344 K
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              830
_journal_page_last               832
_journal_paper_doi               10.1107/S0108768190007510
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'C14 H10'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.96(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.441(2)
_cell_length_b                   6.140(1)
_cell_length_c                   9.438(1)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               5000181
Structural analysis of picene, C~22~H~14~
De, A.; Ghosh, R.; Roychowdhury, S.; Roychowdhury, P.; Acta Crystallographica Section C 41 (1985) 907–909; doi:10.1107/S0108270185005959

data_5000182
_publ_section_title
;
 Structural analysis of picene, C~22~H~14~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              907
_journal_page_last               909
_journal_paper_doi               10.1107/S0108270185005959
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'C22 H14'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.46(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.480(2)
_cell_length_b                   6.154(2)
_cell_length_c                   13.515(3)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               5000182
Structural changes of thiourea in connection with its phase transitions: reappraisal of rigidity and libration of the molecule
Takahashi, I.; Onodera, A.; Shiozaki, Y.; Acta Crystallographica Section B 46 (1990) 661–664; doi:10.1107/S0108768190006012

data_5000183
_publ_section_title
;
 Structural changes of thiourea in connection with its phase transitions:
 reappraisal of rigidity and libration of the molecule
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              661
_journal_page_last               664
_journal_paper_doi               10.1107/S0108768190006012
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'C H4 N2 S'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.488(3)
_cell_length_b                   7.663(4)
_cell_length_c                   8.564(4)
_cod_original_formula_sum        'C1 H4 N2 S1'
_cod_database_code               5000183
Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1:1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons
Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.; New Journal of Chemistry 25 (2001) 1410–1417; doi:10.1039/b105502j

data_5000184
_publ_section_title
;
 Arene-perfluoroarene interactions in crystal engineering. Part 3.
 Single-crystal structures of 1:1 complexes of octafluoronaphthalene
 with fused-ring polyaromatic hydrocarbons
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1410
_journal_page_last               1417
_journal_paper_doi               10.1039/b105502j
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C18 H12'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_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                   5.280(2)
_cell_length_b                   12.972(5)
_cell_length_c                   16.707(7)
_cod_database_code               5000184
Refinement of the Structure of Chrysene
Burns, D. M.; Iball, J.; Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 257 (1960) 491–514; doi:10.1098/rspa.1960.0168

data_5000185
_publ_section_title
;
 Refinement of the Structure of Chrysene
;
_journal_issue                   1291
_journal_name_full
;
 Proceedings of the Royal Society A: Mathematical, Physical
 and Engineering Sciences
;
_journal_page_first              491
_journal_page_last               514
_journal_paper_doi               10.1098/rspa.1960.0168
_journal_volume                  257
_journal_year                    1960
_chemical_formula_sum            'C18 H12'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.386
_cell_length_b                   6.196
_cell_length_c                   25.203
_cod_original_sg_symbol_H-M      'I 2/c'
_cod_database_code               5000185
The Crystal and Molecular Structure of Coronene
Fawcett, J. K.; Trotter, J.; Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 289 (1966) 366–376; doi:10.1098/rspa.1966.0017

data_5000186
_publ_section_title
;
 The Crystal and Molecular Structure of Coronene
;
_journal_issue                   1418
_journal_name_full
;
 Proceedings of the Royal Society A: Mathematical, Physical
 and Engineering Sciences
;
_journal_page_first              366
_journal_page_last               376
_journal_paper_doi               10.1098/rspa.1966.0017
_journal_volume                  289
_journal_year                    1966
_chemical_formula_sum            'C24 H12'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.9
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.119
_cell_length_b                   4.702
_cell_length_c                   10.102
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               5000186
Single-crystal-to-single-crystal photodimerization of cinnamic acid
Enkelmann, Volker; Wegner, Gerhard; Novak, Kathleen; Wagener, Kenneth B.; Journal of the American Chemical Society 115 (1993) 10390–10391; doi:10.1021/ja00075a077

data_5000187
_publ_section_title
;
 Single-crystal-to-single-crystal photodimerization of cinnamic acid
;
_journal_issue                   22
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10390
_journal_page_last               10391
_journal_paper_doi               10.1021/ja00075a077
_journal_volume                  115
_journal_year                    1993
_chemical_formula_sum            'C9 H8 O2'
_space_group_IT_number           14
_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                 96.396(24)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7163(18)
_cell_length_b                   17.6101(68)
_cell_length_c                   5.5655(19)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               5000187
The X-ray-analysis of crystalline DL-malic acid
van Loock, J. F. J.; van Havere, M.; Lenstra, A. T. H.; Bulletin des Societes Chimiques Belges 90 (1981) 161–166; doi:

data_5000188
_publ_section_title
;
 The X-ray-analysis of crystalline DL-malic acid
;
_journal_issue                   2
_journal_name_full               'Bulletin des Societes Chimiques Belges'
_journal_page_first              161
_journal_page_last               166
_journal_volume                  90
_journal_year                    1981
_chemical_formula_sum            'C4 H6 O5'
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.31(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.053(4)
_cell_length_b                   8.724(4)
_cell_length_c                   4.878(3)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               5000188
Solid-state photochemistry of nitro compounds: structure-reactivity correlations
Padmanabhan, Kaillathe; Döpp, Dietrich; Venkatesan, Kailasam; Ramamurthy, Vaidyanathan; Journal of the Chemical Society, Perkin Transactions 2  (1986) 897–906; doi:10.1039/P29860000897

data_5000189
_publ_section_title
;
 Solid-state photochemistry of nitro compounds: structure-reactivity
 correlations
;
_journal_issue                   6
_journal_name_full
;
 Journal of the Chemical Society, Perkin Transactions 2
;
_journal_page_first              897
_journal_page_last               906
_journal_paper_doi               10.1039/P29860000897
_journal_year                    1986
_chemical_formula_sum            'C12 H15 N3 O6'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.79(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.226(1)
_cell_length_b                   11.104(1)
_cell_length_c                   14.622(2)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               5000189
The crystal structure of malonic acid
Goedkoop, J. A.; MacGillavry, C. H.; Acta Crystallographica 10 (1957) 125–127; doi:10.1107/S0365110X57000353

data_5000190
_publ_section_title
;
The crystal structure of malonic acid
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica'
_journal_page_first              125
_journal_page_last               127
_journal_paper_doi               10.1107/S0365110X57000353
_journal_volume                  10
_journal_year                    1957
_chemical_formula_moiety         'C3 H4 O4'
_chemical_formula_sum            'C3 H4 O4'
_chemical_name_systematic        'Malonic acid'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.7
_cell_angle_beta                 135.17
_cell_angle_gamma                85.17
_cell_formula_units_Z            2
_cell_length_a                   5.33
_cell_length_b                   5.14
_cell_length_c                   11.25
_cell_volume                     210.816
_diffrn_ambient_temperature      ?
_refine_ls_R_factor_gt           13.2
_refine_ls_wR_factor_gt          13.2
_cod_database_code               5000190
Conformational polymorphism of D-sorbitol (D-glucitol): the crystal and molecular structures of D-glucitol 2/3-hydrate and εD-glucitol
Schouten, Arie; Kanters, Jan A.; Kroon, Jan; Comini, Serge; Looten, Philippe; Mathlouthi, Mohamed; Carbohydrate Research 312 (1998) 131–137; doi:10.1016/S0008-6215(98)00243-2

data_5000191
_publ_section_title
;
 Conformational polymorphism of D-sorbitol (D-glucitol): the crystal and
 molecular structures of D-glucitol 2/3-hydrate and \eD-glucitol
;
_journal_issue                   3
_journal_name_full               'Carbohydrate Research'
_journal_page_first              131
_journal_page_last               137
_journal_paper_doi               10.1016/S0008-6215(98)00243-2
_journal_volume                  312
_journal_year                    1998
_chemical_formula_sum            'C6 H14 O6'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.446(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.7907(1)
_cell_length_b                   9.4884(1)
_cell_length_c                   17.7307(1)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               5000191