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_7201364
_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                   29.149361
_cell_length_b                   8.678607
_cell_length_c                   11.660751
_cell_volume                     2949.888
_cod_data_source_file            b909819d.txt
_cod_data_source_block           16
_cod_struct_determination_method theoretical
_cod_database_code               7201364
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_7201365
_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                   8.629815
_cell_length_b                   29.397616
_cell_length_c                   11.650334
_cell_volume                     2955.643
_cod_data_source_file            b909819d.txt
_cod_data_source_block           17
_cod_struct_determination_method theoretical
_cod_database_code               7201365
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_7201366
_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                   29.195039
_cell_length_b                   8.672983
_cell_length_c                   11.661585
_cell_volume                     2952.808
_cod_data_source_file            b909819d.txt
_cod_data_source_block           18
_cod_struct_determination_method theoretical
_cod_database_code               7201366
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_7201367
_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                 83.711518
_cell_angle_gamma                90.000000
_cell_length_a                   14.509952
_cell_length_b                   8.645551
_cell_length_c                   11.614955
_cell_volume                     1448.289
_cod_data_source_file            b909819d.txt
_cod_data_source_block           19
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201367
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_7201368
_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                 88.887278
_cell_angle_gamma                90.000000
_cell_length_a                   8.633585
_cell_length_b                   7.549034
_cell_length_c                   22.745934
_cell_volume                     1482.192
_cod_data_source_file            b909819d.txt
_cod_data_source_block           20
_cod_original_sg_symbol_H-M      'P 2_1/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201368
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_7201369
_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                 111.459257
_cell_angle_gamma                90.000000
_cell_length_a                   15.535518
_cell_length_b                   8.697904
_cell_length_c                   11.681496
_cell_volume                     1469.056
_cod_data_source_file            b909819d.txt
_cod_data_source_block           21
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201369
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_7201370
_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           29
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_length_a                   11.688851
_cell_length_b                   8.699009
_cell_length_c                   14.528652
_cell_volume                     1477.294
_cod_data_source_file            b909819d.txt
_cod_data_source_block           22
_cod_original_sg_symbol_H-M      'P c a 2_1'
_cod_struct_determination_method theoretical
_cod_database_code               7201370
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_7201371
_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                   8.611137
_cell_length_b                   11.573194
_cell_length_c                   30.231047
_cell_volume                     3012.777
_cod_data_source_file            b909819d.txt
_cod_data_source_block           23
_cod_struct_determination_method theoretical
_cod_database_code               7201371
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_7201372
_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           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 77.924416
_cell_angle_gamma                90.000000
_cell_length_a                   9.239517
_cell_length_b                   17.412312
_cell_length_c                   9.231196
_cell_volume                     1452.265
_cod_data_source_file            b909819d.txt
_cod_data_source_block           24
_cod_original_sg_symbol_H-M      'C c'
_cod_struct_determination_method theoretical
_cod_database_code               7201372
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_7201373
_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                 75.474543
_cell_angle_gamma                90.000000
_cell_length_a                   30.314293
_cell_length_b                   8.680718
_cell_length_c                   11.593434
_cell_volume                     2953.295
_cod_data_source_file            b909819d.txt
_cod_data_source_block           25
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201373
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_7201374
_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                   8.627178
_cell_length_b                   29.718409
_cell_length_c                   11.626238
_cell_volume                     2980.805
_cod_data_source_file            b909819d.txt
_cod_data_source_block           26
_cod_struct_determination_method theoretical
_cod_database_code               7201374
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_7201375
_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                 106.272124
_cell_angle_gamma                90.000000
_cell_length_a                   30.106755
_cell_length_b                   8.710204
_cell_length_c                   11.685943
_cell_volume                     2941.717
_cod_data_source_file            b909819d.txt
_cod_data_source_block           27
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201375
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_7201376
_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                   30.008344
_cell_length_b                   8.649133
_cell_length_c                   11.573748
_cell_volume                     3003.922
_cod_data_source_file            b909819d.txt
_cod_data_source_block           28
_cod_struct_determination_method theoretical
_cod_database_code               7201376
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_7201377
_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           54
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      54
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_length_a                   29.761189
_cell_length_b                   8.636402
_cell_length_c                   11.635311
_cell_volume                     2990.619
_cod_data_source_file            b909819d.txt
_cod_data_source_block           29
_cod_struct_determination_method theoretical
_cod_database_code               7201377
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_7201378
_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                 88.160740
_cell_angle_gamma                90.000000
_cell_length_a                   11.533210
_cell_length_b                   8.701019
_cell_length_c                   14.610415
_cell_volume                     1465.410
_cod_data_source_file            b909819d.txt
_cod_data_source_block           30
_cod_original_sg_symbol_H-M      'P 2_1/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201378
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_7201379
_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                 73.896170
_cell_angle_gamma                90.000000
_cell_length_a                   31.214330
_cell_length_b                   8.673460
_cell_length_c                   11.499461
_cell_volume                     2991.156
_cod_data_source_file            b909819d.txt
_cod_data_source_block           31
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201379
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_7201380
_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                   8.681910
_cell_length_b                   11.667539
_cell_length_c                   29.216166
_cell_volume                     2959.496
_cod_data_source_file            b909819d.txt
_cod_data_source_block           32
_cod_struct_determination_method theoretical
_cod_database_code               7201380
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_7201381
_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           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.269527
_cell_angle_gamma                90.000000
_cell_length_a                   15.023329
_cell_length_b                   8.667135
_cell_length_c                   11.561773
_cell_volume                     1505.433
_cod_data_source_file            b909819d.txt
_cod_data_source_block           33
_cod_original_sg_symbol_H-M      'C c'
_cod_struct_determination_method theoretical
_cod_database_code               7201381
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_7201382
_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                 96.299709
_cell_angle_gamma                90.000000
_cell_length_a                   29.866398
_cell_length_b                   8.678312
_cell_length_c                   11.573416
_cell_volume                     2981.599
_cod_data_source_file            b909819d.txt
_cod_data_source_block           34
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_struct_determination_method theoretical
_cod_database_code               7201382