LMucko/crystallography-open-database huggingface dataset:
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201383
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_length_a                   16.932218
_cell_length_b                   9.469553
_cell_length_c                   8.938012
_cell_volume                     1433.126
_cod_data_source_file            b909819d.txt
_cod_data_source_block           35
_cod_original_sg_symbol_H-M      'P n a 2_1'
_cod_struct_determination_method theoretical
_cod_database_code               7201383
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201384
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_length_a                   29.374838
_cell_length_b                   8.660830
_cell_length_c                   11.647548
_cell_volume                     2963.258
_cod_data_source_file            b909819d.txt
_cod_data_source_block           36
_cod_struct_determination_method theoretical
_cod_database_code               7201384
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201385
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           41
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_length_a                   23.215510
_cell_length_b                   14.975489
_cell_length_c                   8.718400
_cell_volume                     3031.070
_cod_data_source_file            b909819d.txt
_cod_data_source_block           37
_cod_struct_determination_method theoretical
_cod_database_code               7201385
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201386
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 89.898140
_cell_angle_gamma                90.000000
_cell_length_a                   8.624137
_cell_length_b                   11.520319
_cell_length_c                   15.083153
_cell_volume                     1498.551
_cod_data_source_file            b909819d.txt
_cod_data_source_block           38
_cod_original_sg_symbol_H-M      'P 2_1/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201386
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201387
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 98.484192
_cell_angle_gamma                90.000000
_cell_length_a                   29.332361
_cell_length_b                   8.665202
_cell_length_c                   11.667258
_cell_volume                     2933.024
_cod_data_source_file            b909819d.txt
_cod_data_source_block           39
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201387
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201388
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_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                107.469029
_cell_angle_beta                 106.669128
_cell_angle_gamma                73.086662
_cell_length_a                   8.709252
_cell_length_b                   9.567842
_cell_length_c                   9.913097
_cell_volume                     735.631
_cod_data_source_file            b909819d.txt
_cod_data_source_block           40
_cod_struct_determination_method theoretical
_cod_database_code               7201388
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201389
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 87.649331
_cell_angle_gamma                90.000000
_cell_length_a                   14.564000
_cell_length_b                   8.687665
_cell_length_c                   11.668165
_cell_volume                     1475.097
_cod_data_source_file            b909819d.txt
_cod_data_source_block           41
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201389
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201390
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_length_a                   29.429554
_cell_length_b                   8.664755
_cell_length_c                   11.659178
_cell_volume                     2973.089
_cod_data_source_file            b909819d.txt
_cod_data_source_block           42
_cod_struct_determination_method theoretical
_cod_database_code               7201390
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201391
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_length_a                   8.665316
_cell_length_b                   11.526360
_cell_length_c                   29.989060
_cell_volume                     2995.294
_cod_data_source_file            b909819d.txt
_cod_data_source_block           43
_cod_struct_determination_method theoretical
_cod_database_code               7201391
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201392
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.069340
_cell_angle_gamma                90.000000
_cell_length_a                   15.581235
_cell_length_b                   8.226829
_cell_length_c                   23.035090
_cell_volume                     2952.731
_cod_data_source_file            b909819d.txt
_cod_data_source_block           44
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201392
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201393
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 75.709136
_cell_angle_gamma                90.000000
_cell_length_a                   30.018318
_cell_length_b                   8.709272
_cell_length_c                   11.695713
_cell_volume                     2963.080
_cod_data_source_file            b909819d.txt
_cod_data_source_block           45
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201393
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201394
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 61.059660
_cell_angle_gamma                90.000000
_cell_length_a                   8.367519
_cell_length_b                   8.671759
_cell_length_c                   11.480886
_cell_volume                     729.036
_cod_data_source_file            b909819d.txt
_cod_data_source_block           46
_cod_original_sg_symbol_H-M      'P 2_1/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201394
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201395
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_length_a                   8.649247
_cell_length_b                   11.476095
_cell_length_c                   30.237784
_cell_volume                     3001.390
_cod_data_source_file            b909819d.txt
_cod_data_source_block           47
_cod_struct_determination_method theoretical
_cod_database_code               7201395
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201396
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_length_a                   8.681329
_cell_length_b                   11.682004
_cell_length_c                   29.357681
_cell_volume                     2977.319
_cod_data_source_file            b909819d.txt
_cod_data_source_block           48
_cod_struct_determination_method theoretical
_cod_database_code               7201396
Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
Neumann, Marcus Aurelius; Perrin, Marc-Antoine; CrystEngComm 11 (2009) 2475–; doi:10.1039/b909819d

data_7201397
_publ_section_title
;
 Can crystal structure prediction guide experimentalists to a new
 polymorph of paracetamol?
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2475
_journal_paper_doi               10.1039/b909819d
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 109.877250
_cell_angle_gamma                90.000000
_cell_length_a                   15.604864
_cell_length_b                   8.667826
_cell_length_c                   11.626933
_cell_volume                     1478.968
_cod_data_source_file            b909819d.txt
_cod_data_source_block           49
_cod_original_sg_symbol_H-M      'P 2_1/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201397
An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding
Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua; CrystEngComm 11 (2009) 2268–; doi:10.1039/b910263a

data_7201486
_publ_section_title
;
 An enhanced fluorescence in a tunable face-to-face \p&#x22EF;\p
 stacking assembly directed by the H-bonding
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2268
_journal_paper_doi               10.1039/b910263a
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             2008-03-16
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90.0089
_cell_angle_beta                 89.9894
_cell_angle_gamma                119.7338
_cell_length_a                   24.3284
_cell_length_b                   24.3005
_cell_length_c                   10.0656
_cell_volume                     5167.230
_cod_data_source_file            CAN_model.cif
_cod_data_source_block           CAN_model
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7201486
An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding
Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua; CrystEngComm 11 (2009) 2268–; doi:10.1039/b910263a

data_7201487
_publ_section_title
;
 An enhanced fluorescence in a tunable face-to-face \p&#x22EF;\p
 stacking assembly directed by the H-bonding
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2268
_journal_paper_doi               10.1039/b910263a
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             2008-03-16
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                60.0000
_cell_angle_beta                 60.0000
_cell_angle_gamma                60.0000
_cell_length_a                   33.4703
_cell_length_b                   33.4703
_cell_length_c                   33.4703
_cell_volume                     26513.302
_cod_data_source_file            FAU_model.cif
_cod_data_source_block           FAU_model
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7201487
An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding
Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua; CrystEngComm 11 (2009) 2268–; doi:10.1039/b910263a

data_7201488
_publ_section_title
;
 An enhanced fluorescence in a tunable face-to-face \p&#x22EF;\p
 stacking assembly directed by the H-bonding
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2268
_journal_paper_doi               10.1039/b910263a
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             2008-03-16
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                79.9602
_cell_angle_beta                 110.6732
_cell_angle_gamma                144.9477
_cell_length_a                   24.4663
_cell_length_b                   24.3965
_cell_length_c                   24.5397
_cell_volume                     7689.437
_cod_data_source_file            FER_model.cif
_cod_data_source_block           FER_model
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7201488
An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding
Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua; CrystEngComm 11 (2009) 2268–; doi:10.1039/b910263a

data_7201489
_publ_section_title
;
 An enhanced fluorescence in a tunable face-to-face \p&#x22EF;\p
 stacking assembly directed by the H-bonding
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2268
_journal_paper_doi               10.1039/b910263a
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             2008-03-16
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_length_a                   34.9595
_cell_length_b                   34.9595
_cell_length_c                   14.5821
_cell_volume                     15434.094
_cod_data_source_file            LTL_model.cif
_cod_data_source_block           LTL_model
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7201489