LMucko/crystallography-open-database huggingface dataset:
Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions
Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero; Journal of Organic Chemistry 69 (2004) 3976–3978; doi:10.1021/jo049757p

data_4020966
_publ_section_title
;
 Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based
 N-Acyliminium Ions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3976
_journal_page_last               3978
_journal_paper_doi               10.1021/jo049757p
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C20 H19 N3 O4 S'
_chemical_formula_sum            'C20 H19 N3 O4 S'
_chemical_formula_weight         397.44
_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                   9.1528(8)
_cell_length_b                   9.9689(10)
_cell_length_c                   20.8724(18)
_cell_measurement_temperature    300(2)
_cell_volume                     1904.5(3)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    1.386
_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               4020966
Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions
Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero; Journal of Organic Chemistry 69 (2004) 3976–3978; doi:10.1021/jo049757p

data_4020967
_publ_section_title
;
 Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based
 N-Acyliminium Ions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3976
_journal_page_last               3978
_journal_paper_doi               10.1021/jo049757p
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C21 H22 N2 O4 S'
_chemical_formula_weight         398.47
_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            8
_cell_length_a                   9.248(2)
_cell_length_b                   20.491(3)
_cell_length_c                   21.708(4)
_cell_measurement_temperature    296(1)
_cell_volume                     4113.7(14)
_diffrn_ambient_temperature      296(1)
_exptl_crystal_density_diffrn    1.287
_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               4020967
Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions
Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero; Journal of Organic Chemistry 69 (2004) 3976–3978; doi:10.1021/jo049757p

data_4020968
_publ_section_title
;
 Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based
 N-Acyliminium Ions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3976
_journal_page_last               3978
_journal_paper_doi               10.1021/jo049757p
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C21 H22 N2 O4 S'
_chemical_formula_weight         398.47
_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                   8.5090(7)
_cell_length_b                   11.5930(8)
_cell_length_c                   20.2321(13)
_cell_measurement_temperature    298(2)
_cell_volume                     1995.8(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.326
_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               4020968
Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions
Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero; Journal of Organic Chemistry 69 (2004) 3976–3978; doi:10.1021/jo049757p

data_4020969
_publ_section_title
;
 Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based
 N-Acyliminium Ions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3976
_journal_page_last               3978
_journal_paper_doi               10.1021/jo049757p
_journal_volume                  69
_journal_year                    2004
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C25 H24 N2 O4 S Se'
_chemical_formula_sum            'C25 H24 N2 O4 S Se'
_chemical_formula_weight         527.48
_space_group_IT_number           18
_space_group_name_Hall           'P 2bc 2'
_space_group_name_H-M_alt        'P 2 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2bc 2'
_symmetry_space_group_name_H-M   'P 2 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                   7.2339(7)
_cell_length_b                   9.2254(10)
_cell_length_c                   35.142(3)
_cell_measurement_temperature    296(1)
_cell_volume                     2345.2(4)
_diffrn_ambient_temperature      296(1)
_exptl_crystal_density_diffrn    1.494
_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               4020969
Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions
Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero; Journal of Organic Chemistry 69 (2004) 3976–3978; doi:10.1021/jo049757p

data_4020970
_publ_section_title
;
 Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based
 N-Acyliminium Ions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3976
_journal_page_last               3978
_journal_paper_doi               10.1021/jo049757p
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C24 H22 N2 O4 S Se'
_chemical_formula_weight         513.46
_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                 97.238(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.2087(8)
_cell_length_b                   9.4196(7)
_cell_length_c                   16.7486(13)
_cell_measurement_temperature    299(2)
_cell_volume                     1128.22(17)
_diffrn_ambient_temperature      299(2)
_exptl_crystal_density_diffrn    1.511
_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'
_cod_database_code               4020970
Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides Stabilized by a Carbonyl Group
Yuichi Sawada; Akira Oku; Journal of Organic Chemistry 69 (2004) 2899–2901; doi:10.1021/jo0498009

data_4020971
_publ_section_title
;
 Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides
 Stabilized by a Carbonyl Group
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2899
_journal_page_last               2901
_journal_paper_doi               10.1021/jo0498009
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C14 H14 O S2 '
_chemical_formula_sum            'C14 H14 O S2'
_chemical_formula_weight         262.38
_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                 101.06(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.829(4)
_cell_length_b                   19.788(8)
_cell_length_c                   9.501(3)
_cell_measurement_temperature    198.1
_cell_volume                     2551.8(2)
_exptl_crystal_density_diffrn    1.366
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C14 H14 O S2 '
_cod_database_code               4020971
Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides Stabilized by a Carbonyl Group
Yuichi Sawada; Akira Oku; Journal of Organic Chemistry 69 (2004) 2899–2901; doi:10.1021/jo0498009

data_4020972
_publ_section_title
;
 Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides
 Stabilized by a Carbonyl Group
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2899
_journal_page_last               2901
_journal_paper_doi               10.1021/jo0498009
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C12 H10 O S '
_chemical_formula_sum            'C12 H10 O S'
_chemical_formula_weight         202.27
_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                89
_cell_angle_beta                 89
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.78(1)
_cell_length_b                   11.496(4)
_cell_length_c                   8.242(2)
_cell_measurement_temperature    198.1
_cell_volume                     1968(1)
_exptl_crystal_density_diffrn    1.365
_cod_original_formula_sum        'C12 H10 O S '
_cod_database_code               4020972
Synthesis of Putative Uniflorine A
Andrew S. Davis; Stephen G. Pyne; Brian W. Skelton; Allan H. White; Journal of Organic Chemistry 69 (2004) 3139–3143; doi:10.1021/jo049806y

data_4020973
_publ_section_title
;
 Synthesis of Putative Uniflorine A
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3139
_journal_page_last               3143
_journal_paper_doi               10.1021/jo049806y
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C18 H25 N1 O10'
_chemical_formula_sum            'C18 H25 N O10'
_chemical_formula_weight         415.4
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   7.6670(10)
_cell_length_b                   11.555(2)
_cell_length_c                   22.671(4)
_cell_measurement_temperature    150(2)
_cell_volume                     2008.5(6)
_exptl_crystal_density_diffrn    1.374
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-08
;
_cod_original_formula_sum        'C18 H25 N1 O10'
_cod_database_code               4020973
Conformational Studies by Dynamic NMR. 99.^1^ Experimental and Computed Determination of Rotation Barriers in the Crystalline State: The Case of Naphthylphenylsulfoxide
Daniele Casarini; Lodovico Lunazzi; Andrea Mazzanti; Pierluigi Mercandelli; Angelo Sironi; Journal of Organic Chemistry 69 (2004) 3574–3577; doi:10.1021/jo049843p

data_4020974
_publ_section_title
;
 Conformational Studies by Dynamic NMR.
 99.^1^ Experimental and Computed Determination of
 Rotation Barriers in the Crystalline State:
 The Case of Naphthylphenylsulfoxide
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3574
_journal_page_last               3577
_journal_paper_doi               10.1021/jo049843p
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C16 H12 O S'
_chemical_formula_sum            'C16 H12 O S'
_chemical_formula_weight         252.32
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.522(7)
_cell_length_b                   10.700(9)
_cell_length_c                   21.818(3)
_cell_measurement_temperature    295(2)
_cell_volume                     1289(2)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.300
_cod_database_code               4020974
Radical and Palladium-Catalyzed Cyclizations to Cyclobutenes: An Entry to the BCD Ring System of Penitrem D
Alexey Rivkin; Felix González-López de Turiso; Tadamichi Nagashima; Dennis P. Curran; Journal of Organic Chemistry 69 (2004) 3719–3725; doi:10.1021/jo049873s

data_4020975
_publ_section_title
;
 Radical and Palladium-Catalyzed Cyclizations to Cyclobutenes:
 An Entry to the BCD Ring System of Penitrem D
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3719
_journal_page_last               3725
_journal_paper_doi               10.1021/jo049873s
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C17 H24 O2'
_chemical_formula_weight         260.36
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6474(6)
_cell_length_b                   9.5570(5)
_cell_length_c                   15.8983(9)
_cell_measurement_temperature    296(2)
_cell_volume                     1465.83(15)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.180
_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               4020975
Addition of Bifunctional Organoboron Reagents to Strained Alkenes. Carbon-Carbon Bond Formation with Rh(I) Catalysis in Aqueous Media
Mark Lautens; John Mancuso; Journal of Organic Chemistry 69 (2004) 3478–3487; doi:10.1021/jo049874k

data_4020976
_publ_section_title
;
 Addition of Bifunctional Organoboron Reagents to Strained Alkenes.
 Carbon-Carbon Bond Formation with Rh(I) Catalysis in Aqueous Media
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3478
_journal_page_last               3487
_journal_paper_doi               10.1021/jo049874k
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C20 H21 N O5'
_chemical_formula_sum            'C20 H21 N O5'
_chemical_formula_weight         355.38
_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                 102.059(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.6601(5)
_cell_length_b                   8.8459(4)
_cell_length_c                   12.8348(6)
_cell_measurement_temperature    150(1)
_cell_volume                     1738.74(13)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.358
_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               4020976
Addition of Bifunctional Organoboron Reagents to Strained Alkenes. Carbon-Carbon Bond Formation with Rh(I) Catalysis in Aqueous Media
Mark Lautens; John Mancuso; Journal of Organic Chemistry 69 (2004) 3478–3487; doi:10.1021/jo049874k

data_4020977
_publ_section_title
;
 Addition of Bifunctional Organoboron Reagents to Strained Alkenes.
 Carbon-Carbon Bond Formation with Rh(I) Catalysis in Aqueous Media
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3478
_journal_page_last               3487
_journal_paper_doi               10.1021/jo049874k
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C26 H38 O5 Si'
_chemical_formula_sum            'C26 H38 O5 Si'
_chemical_formula_weight         458.65
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.2520(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.4218(7)
_cell_length_b                   10.0111(3)
_cell_length_c                   17.0551(6)
_cell_measurement_temperature    293(1)
_cell_volume                     5295.2(3)
_diffrn_ambient_temperature      293(1)
_exptl_crystal_density_diffrn    1.151
_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/c'
_cod_database_code               4020977
Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams
Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea; Journal of Organic Chemistry 69 (2004) 3025–3035; doi:10.1021/jo049897z

data_4020978
_publ_section_title
;
 Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction:
 Scope and Application to the Synthesis of Medium Ring Lactams
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3025
_journal_page_last               3035
_journal_paper_doi               10.1021/jo049897z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C8 H11 N O2'
_chemical_formula_weight         153.18
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.0120(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.133(2)
_cell_length_b                   5.5289(4)
_cell_length_c                   11.6527(9)
_cell_measurement_temperature    158(2)
_cell_volume                     1530.9(2)
_diffrn_ambient_temperature      158(2)
_exptl_crystal_density_diffrn    1.329
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4020978
Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams
Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea; Journal of Organic Chemistry 69 (2004) 3025–3035; doi:10.1021/jo049897z

data_4020979
_publ_section_title
;
 Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction:
 Scope and Application to the Synthesis of Medium Ring Lactams
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3025
_journal_page_last               3035
_journal_paper_doi               10.1021/jo049897z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C9 H13 N O2'
_chemical_formula_weight         167.20
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.5230(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.2267(16)
_cell_length_b                   6.0297(4)
_cell_length_c                   11.6827(8)
_cell_measurement_temperature    158
_cell_volume                     1683.1(2)
_diffrn_ambient_temperature      158
_exptl_crystal_density_diffrn    1.320
_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/c'
_cod_database_code               4020979