LMucko/crystallography-open-database huggingface dataset:
Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms
Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima; Journal of Organic Chemistry 70 (2005) 8364–8371; doi:10.1021/jo050992x

data_4020517
_publ_section_title
;
 Acid-Catalyzed Transannular Cyclization of
 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones
 and Some Proposed Mechanisms
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8364
_journal_page_last               8371
_journal_paper_doi               10.1021/jo050992x
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C35 H28 O2'
_chemical_formula_sum            'C35 H28 O2'
_chemical_formula_weight         480.60
_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                 113.523(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.850(1)
_cell_length_b                   17.988(2)
_cell_length_c                   12.921(2)
_cell_measurement_temperature    296.2
_cell_volume                     2525.3(5)
_exptl_crystal_density_diffrn    1.264
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4020517
Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms
Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima; Journal of Organic Chemistry 70 (2005) 8364–8371; doi:10.1021/jo050992x

data_4020518
_publ_section_title
;
 Acid-Catalyzed Transannular Cyclization of
 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones
 and Some Proposed Mechanisms
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8364
_journal_page_last               8371
_journal_paper_doi               10.1021/jo050992x
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C35 H28 O2 '
_chemical_formula_sum            'C35 H28 O2'
_chemical_formula_weight         480.60
_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                 91.6973(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4670(5)
_cell_length_b                   14.7091(7)
_cell_length_c                   15.4076(7)
_cell_measurement_temperature    223.2
_cell_volume                     2597.7(2)
_exptl_crystal_density_diffrn    1.229
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C35 H28 O2 '
_cod_database_code               4020518
Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms
Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima; Journal of Organic Chemistry 70 (2005) 8364–8371; doi:10.1021/jo050992x

data_4020519
_publ_section_title
;
 Acid-Catalyzed Transannular Cyclization of
 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones
 and Some Proposed Mechanisms
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8364
_journal_page_last               8371
_journal_paper_doi               10.1021/jo050992x
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C41 H34 O2'
_chemical_formula_weight         558.72
_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                 105.671(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0873(3)
_cell_length_b                   35.735(1)
_cell_length_c                   9.6538(3)
_cell_measurement_temperature    296.2
_cell_volume                     3018.4(2)
_exptl_crystal_density_diffrn    1.229
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020519
Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms
Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima; Journal of Organic Chemistry 70 (2005) 8364–8371; doi:10.1021/jo050992x

data_4020520
_publ_section_title
;
 Acid-Catalyzed Transannular Cyclization of
 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones
 and Some Proposed Mechanisms
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8364
_journal_page_last               8371
_journal_paper_doi               10.1021/jo050992x
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C37 H30 O'
_chemical_formula_sum            'C37 H30 O'
_chemical_formula_weight         490.64
_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                107.365(2)
_cell_angle_beta                 104.062(2)
_cell_angle_gamma                97.428(2)
_cell_formula_units_Z            2
_cell_length_a                   9.7136(7)
_cell_length_b                   12.0508(2)
_cell_length_c                   12.8856(2)
_cell_measurement_temperature    223.2
_cell_volume                     1362.9(1)
_exptl_crystal_density_diffrn    1.196
_cod_database_code               4020520
Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms
Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima; Journal of Organic Chemistry 70 (2005) 8364–8371; doi:10.1021/jo050992x

data_4020521
_publ_section_title
;
 Acid-Catalyzed Transannular Cyclization of
 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones
 and Some Proposed Mechanisms
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8364
_journal_page_last               8371
_journal_paper_doi               10.1021/jo050992x
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C30 H26 O2 '
_chemical_formula_sum            'C30 H26 O2'
_chemical_formula_weight         418.53
_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                 115.20(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.740(4)
_cell_length_b                   13.449(10)
_cell_length_c                   14.248(4)
_cell_measurement_temperature    288.2
_cell_volume                     2209.0200
_exptl_crystal_density_diffrn    1.258
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C30 H26 O2 '
_cod_database_code               4020521
Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms
Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima; Journal of Organic Chemistry 70 (2005) 8364–8371; doi:10.1021/jo050992x

data_4020522
_publ_section_title
;
 Acid-Catalyzed Transannular Cyclization of
 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones
 and Some Proposed Mechanisms
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8364
_journal_page_last               8371
_journal_paper_doi               10.1021/jo050992x
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C30 H26 O2 '
_chemical_formula_sum            'C30 H26 O2'
_chemical_formula_weight         418.53
_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                 100.37(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.503(5)
_cell_length_b                   8.505(2)
_cell_length_c                   16.954(3)
_cell_measurement_temperature    288.2
_cell_volume                     2198.9700
_exptl_crystal_density_diffrn    1.264
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C30 H26 O2 '
_cod_database_code               4020522
Heteroatom-Substituted Expanded Radialenes: One-Pot Synthesis and Characterization of Expanded 1,3-Dithiolane[n]radialenes
Yu-Long Zhao; Qun Liu; Jing-Ping Zhang; Zhi-Qiang Liu; Journal of Organic Chemistry 70 (2005) 6913–6917; doi:10.1021/jo050993p

data_4020523
_publ_section_title
;
 Heteroatom-Substituted Expanded Radialenes:
 One-Pot Synthesis and Characterization of Expanded
 1,3-Dithiolane[n]radialenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6913
_journal_page_last               6917
_journal_paper_doi               10.1021/jo050993p
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C22.5 H12.5 O S5.5'
_chemical_formula_weight         475.10
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.563(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.6162(10)
_cell_length_b                   22.137(3)
_cell_length_c                   12.4884(14)
_cell_measurement_temperature    293(2)
_cell_volume                     2377.4(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.713
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'C22.5 H12.5 O1 S5.5'
_cod_database_code               4020523
A Short Synthesis of 10-Hydroxy 7-Spirocyclopropanated Camphor
Yu-Rong Yang; Wei-Dong Z. Li; Journal of Organic Chemistry 70 (2005) 8224–8227; doi:10.1021/jo0509962

data_4020524
_publ_section_title
;
 A Short Synthesis of 10-Hydroxy 7-Spirocyclopropanated Camphor
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8224
_journal_page_last               8227
_journal_paper_doi               10.1021/jo0509962
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C17 H20 O4 S'
_chemical_formula_weight         320.39
_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                90.00
_cell_angle_beta                 98.154(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.580(5)
_cell_length_b                   19.219(15)
_cell_length_c                   12.656(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1584(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.343
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020524
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020525
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C19 H14 Cl2 O4, C2 H6 O, H2 O'
_chemical_formula_sum            'C21 H22 Cl2 O6'
_chemical_formula_weight         441.3
_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                109.873(6)
_cell_angle_beta                 112.697(7)
_cell_angle_gamma                100.841(12)
_cell_formula_units_Z            2
_cell_length_a                   9.499(2)
_cell_length_b                   10.891(2)
_cell_length_c                   11.067(2)
_cell_measurement_temperature    100
_cell_volume                     923.7(3)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.59
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4020525
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020526
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C23 H22 Cl2 O4'
_chemical_formula_sum            'C23 H22 Cl2 O4'
_chemical_formula_weight         433.31
_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                87.201(8)
_cell_angle_beta                 81.854(9)
_cell_angle_gamma                80.257(7)
_cell_formula_units_Z            2
_cell_length_a                   9.380(2)
_cell_length_b                   9.968(2)
_cell_length_c                   11.335(3)
_cell_measurement_temperature    105
_cell_volume                     1033.7(4)
_diffrn_ambient_temperature      105
_exptl_crystal_density_diffrn    1.392
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4020526
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020527
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C23 H22 Cl2 O5'
_chemical_formula_sum            'C23 H22 Cl2 O5'
_chemical_formula_weight         449.31
_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                 96.235(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.061(2)
_cell_length_b                   13.094(2)
_cell_length_c                   15.974(3)
_cell_measurement_temperature    105
_cell_volume                     2091.9(7)
_diffrn_ambient_temperature      105
_exptl_crystal_density_diffrn    1.427
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020527
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020528
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C15 H13 Cl O3'
_chemical_formula_sum            'C15 H13 Cl O3'
_chemical_formula_weight         276.70
_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                 96.27(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.553(4)
_cell_length_b                   14.930(6)
_cell_length_c                   8.221(3)
_cell_measurement_temperature    105
_cell_volume                     1287.5(9)
_diffrn_ambient_temperature      105
_exptl_crystal_density_diffrn    1.427
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020528
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020529
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C8 H8 Br Cl O2'
_chemical_formula_sum            'C8 H8 Br Cl O2'
_chemical_formula_weight         251.50
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.783(17)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.722(4)
_cell_length_b                   7.949(3)
_cell_length_c                   7.405(3)
_cell_measurement_temperature    105
_cell_volume                     454.3(3)
_diffrn_ambient_temperature      105
_exptl_crystal_density_diffrn    1.839
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               4020529
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020530
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C23 H24 O5'
_chemical_formula_sum            'C23 H24 O5'
_chemical_formula_weight         380.42
_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                93.876(6)
_cell_angle_beta                 98.152(6)
_cell_angle_gamma                107.681(6)
_cell_formula_units_Z            4
_cell_length_a                   8.4475(10)
_cell_length_b                   11.312(2)
_cell_length_c                   21.111(4)
_cell_measurement_temperature    105
_cell_volume                     1889.5(5)
_diffrn_ambient_temperature      105
_exptl_crystal_density_diffrn    1.337
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P -1  '
_cod_database_code               4020530