LMucko/crystallography-open-database huggingface dataset:
Stereoselective Syntheses of (±)-Komaroviquinone and (±)-Faveline Methyl Ether through Intramolecular Heck Reaction
Sujaya Sengupta; Michael G. B. Drew; Ranjan Mukhopadhyay; Basudeb Achari; Asish Kr. Banerjee; Journal of Organic Chemistry 70 (2005) 7694–7700; doi:10.1021/jo051082i

data_4020545
_publ_section_title
;
 Stereoselective Syntheses of (+-)-Komaroviquinone and
 (+-)-Faveline Methyl Ether through Intramolecular
 Heck Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7694
_journal_page_last               7700
_journal_paper_doi               10.1021/jo051082i
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C20 H28 Br2 O2'
_chemical_formula_weight         460.24
_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                90.00
_cell_angle_beta                 101.720(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.501(9)
_cell_length_b                   18.09(2)
_cell_length_c                   14.922(16)
_cell_measurement_temperature    293(2)
_cell_volume                     1983(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.542
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4020545
Stereoselective Syntheses of (±)-Komaroviquinone and (±)-Faveline Methyl Ether through Intramolecular Heck Reaction
Sujaya Sengupta; Michael G. B. Drew; Ranjan Mukhopadhyay; Basudeb Achari; Asish Kr. Banerjee; Journal of Organic Chemistry 70 (2005) 7694–7700; doi:10.1021/jo051082i

data_4020546
_publ_section_title
;
 Stereoselective Syntheses of (+-)-Komaroviquinone and
 (+-)-Faveline Methyl Ether through Intramolecular
 Heck Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7694
_journal_page_last               7700
_journal_paper_doi               10.1021/jo051082i
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C18 H24 O3'
_chemical_formula_weight         288.37
_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                 103.564(10)
_cell_angle_gamma                90.01
_cell_formula_units_Z            8
_cell_length_a                   14.229(17)
_cell_length_b                   10.299(12)
_cell_length_c                   22.84(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3253(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.178
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020546
(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study
Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño; Journal of Organic Chemistry 70 (2005) 7963–7971; doi:10.1021/jo0510843

data_4020547
_publ_section_title
;
 (+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their
 Incorporation into Highly Rigid \b-Peptides:
 Stereoselective Synthesis and a Structural Study
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7963
_journal_page_last               7971
_journal_paper_doi               10.1021/jo0510843
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C13 H15 N O4'
_chemical_formula_weight         249.26
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.339(2)
_cell_length_b                   8.269(3)
_cell_length_c                   21.022(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1275.7(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.298
_cod_database_code               4020547
(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study
Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño; Journal of Organic Chemistry 70 (2005) 7963–7971; doi:10.1021/jo0510843

data_4020548
_publ_section_title
;
 (+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their
 Incorporation into Highly Rigid \b-Peptides:
 Stereoselective Synthesis and a Structural Study
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7963
_journal_page_last               7971
_journal_paper_doi               10.1021/jo0510843
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C19 H24 N2 O5'
_chemical_formula_weight         360.40
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.0180(4)
_cell_length_b                   18.2276(17)
_cell_length_c                   20.8563(19)
_cell_measurement_temperature    293(2)
_cell_volume                     1907.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.255
_cod_database_code               4020548
(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study
Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño; Journal of Organic Chemistry 70 (2005) 7963–7971; doi:10.1021/jo0510843

data_4020549
_publ_section_title
;
 (+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their
 Incorporation into Highly Rigid \b-Peptides:
 Stereoselective Synthesis and a Structural Study
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7963
_journal_page_last               7971
_journal_paper_doi               10.1021/jo0510843
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C19 H24 N2 O5'
_chemical_formula_weight         360.40
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.209(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.185(19)
_cell_length_b                   5.098(4)
_cell_length_c                   12.366(9)
_cell_measurement_temperature    193(2)
_cell_volume                     1840(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.301
_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      'C 2'
_cod_database_code               4020549
(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study
Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño; Journal of Organic Chemistry 70 (2005) 7963–7971; doi:10.1021/jo0510843

data_4020550
_publ_section_title
;
 (+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their
 Incorporation into Highly Rigid \b-Peptides:
 Stereoselective Synthesis and a Structural Study
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7963
_journal_page_last               7971
_journal_paper_doi               10.1021/jo0510843
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C19 H32 N2 O5'
_chemical_formula_weight         368.47
_space_group_IT_number           170
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 65'
_symmetry_space_group_name_H-M   'P 65'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   11.8865(12)
_cell_length_b                   11.8865(12)
_cell_length_c                   26.520(5)
_cell_measurement_temperature    193(2)
_cell_volume                     3245.0(8)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.131
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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               4020550
(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study
Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño; Journal of Organic Chemistry 70 (2005) 7963–7971; doi:10.1021/jo0510843

data_4020551
_publ_section_title
;
 (+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their
 Incorporation into Highly Rigid \b-Peptides:
 Stereoselective Synthesis and a Structural Study
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7963
_journal_page_last               7971
_journal_paper_doi               10.1021/jo0510843
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C22 H30 N2 O5'
_chemical_formula_weight         402.48
_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                90.00
_cell_angle_beta                 90.55(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.137(8)
_cell_length_b                   9.703(3)
_cell_length_c                   22.133(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1103.2(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.212
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020551
Stereoselective Route to the Ezoaminuroic Acid Core of the Ezomycins
Juhienah K. Khalaf; Apurba Datta; Journal of Organic Chemistry 70 (2005) 6937–6940; doi:10.1021/jo051086n

data_4020552
_publ_section_title
;
 Stereoselective Route to the Ezoaminuroic Acid Core of the Ezomycins
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6937
_journal_page_last               6940
_journal_paper_doi               10.1021/jo051086n
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C15 H25 N O8'
_chemical_formula_sum            'C15 H25 N O8'
_chemical_formula_weight         347.36
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.198(4)
_cell_length_b                   16.182(10)
_cell_length_c                   21.494(13)
_cell_measurement_temperature    100(2)
_cell_volume                     1808(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.276
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               4020552
Chiral 1,2- and 1,3-Diol-Functionalized Chromophores as Lego Building Blocks for Coupled Structures
Stefan Spange; Katja Hofmann; Bernhard Walfort; Tobias Rüffer; Heinrich Lang; Journal of Organic Chemistry 70 (2005) 8564–8567; doi:10.1021/jo051097g

data_4020553
_publ_section_title
;
 Chiral 1,2- and 1,3-Diol-Functionalized Chromophores
 as Lego Building Blocks for Coupled Structures
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8564
_journal_page_last               8567
_journal_paper_doi               10.1021/jo051097g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C9 H12 N2 O4'
_chemical_formula_weight         212.21
_space_group_IT_number           23
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2 2'
_symmetry_space_group_name_H-M   'I 2 2 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   6.8961(4)
_cell_length_b                   14.1021(8)
_cell_length_c                   20.3417(14)
_cell_measurement_temperature    203(2)
_cell_volume                     1978.2(2)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.425
_cod_database_code               4020553
Unexpected New Chemistry of the Bis(thioimidazolyl)methanes
Rosalice M. Silva; Mark D. Smith; James R. Gardinier; Journal of Organic Chemistry 70 (2005) 8755–8763; doi:10.1021/jo051101o

data_4020554
_publ_section_title
;
 Unexpected New Chemistry of the Bis(thioimidazolyl)methanes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8755
_journal_page_last               8763
_journal_paper_doi               10.1021/jo051101o
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C10 H14 N4 S2, 2(F6 P), C2 H3 N'
_chemical_formula_sum            'C12 H17 F12 N5 P2 S2'
_chemical_formula_weight         585.37
_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                 103.5910(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.1527(8)
_cell_length_b                   10.0182(5)
_cell_length_c                   13.8856(7)
_cell_measurement_temperature    150(1)
_cell_volume                     2184.06(19)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.780
_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               4020554
Unexpected New Chemistry of the Bis(thioimidazolyl)methanes
Rosalice M. Silva; Mark D. Smith; James R. Gardinier; Journal of Organic Chemistry 70 (2005) 8755–8763; doi:10.1021/jo051101o

data_4020555
_publ_section_title
;
 Unexpected New Chemistry of the Bis(thioimidazolyl)methanes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8755
_journal_page_last               8763
_journal_paper_doi               10.1021/jo051101o
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C9 H12 N4 S2'
_chemical_formula_sum            'C9 H12 N4 S2'
_chemical_formula_weight         240.35
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.5218(10)
_cell_length_b                   36.256(3)
_cell_length_c                   4.4236(3)
_cell_measurement_temperature    150(1)
_cell_volume                     2168.6(3)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.472
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               4020555
Ene-diamine versus Imine-amine Isomeric Preferences
B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller; Journal of Organic Chemistry 70 (2005) 8409–8416; doi:10.1021/jo051102g

data_4020556
_publ_section_title
;
 Ene-diamine versus Imine-amine Isomeric Preferences
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8409
_journal_page_last               8416
_journal_paper_doi               10.1021/jo051102g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C26 H22 N2'
_chemical_formula_weight         362.46
_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                 101.359(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.091(7)
_cell_length_b                   8.924(5)
_cell_length_c                   19.781(12)
_cell_measurement_temperature    110(2)
_cell_volume                     1919.4(19)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.254
_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               4020556
Ene-diamine versus Imine-amine Isomeric Preferences
B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller; Journal of Organic Chemistry 70 (2005) 8409–8416; doi:10.1021/jo051102g

data_4020557
_publ_section_title
;
 Ene-diamine versus Imine-amine Isomeric Preferences
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8409
_journal_page_last               8416
_journal_paper_doi               10.1021/jo051102g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C28 H26 N2'
_chemical_formula_weight         390.51
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.5867(17)
_cell_length_b                   44.319(6)
_cell_length_c                   5.7826(6)
_cell_measurement_temperature    110(2)
_cell_volume                     4250.8(8)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.220
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               4020557
Ene-diamine versus Imine-amine Isomeric Preferences
B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller; Journal of Organic Chemistry 70 (2005) 8409–8416; doi:10.1021/jo051102g

data_4020558
_publ_section_title
;
 Ene-diamine versus Imine-amine Isomeric Preferences
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8409
_journal_page_last               8416
_journal_paper_doi               10.1021/jo051102g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C20 H16 N2 O2'
_chemical_formula_weight         316.35
_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                90.00
_cell_angle_beta                 115.496(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.708(2)
_cell_length_b                   15.970(4)
_cell_length_c                   11.254(3)
_cell_measurement_temperature    110(2)
_cell_volume                     1574.9(6)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.334
_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/n'
_cod_database_code               4020558