LMucko/crystallography-open-database huggingface dataset:
Practical Synthesis of a Neuropeptide Y Antagonist via Stereoselective Addition to a Ketene
Takehiko Iida; Hiroki Satoh; Kenji Maeda; Yuhei Yamamoto; Ken-ichi Asakawa; Naotaka Sawada; Toshihiro Wada; Chie Kadowaki; Takahiro Itoh; Toshiaki Mase; Steven A. Weissman; Dave Tschaen; Shane Krska; R. P. Volante; Journal of Organic Chemistry 70 (2005) 9222–9229; doi:10.1021/jo0512709

data_4020586
_publ_section_title
;
 Practical Synthesis of a Neuropeptide Y Antagonist
 via Stereoselective Addition to a Ketene
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9222
_journal_page_last               9229
_journal_paper_doi               10.1021/jo0512709
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C15 H17 N O4'
_chemical_formula_sum            'C15 H17 N O4'
_chemical_formula_weight         275.30
_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                 98.235(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.034(2)
_cell_length_b                   12.941(4)
_cell_length_c                   15.164(5)
_cell_measurement_temperature    298(2)
_cell_volume                     1366.0(8)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.339
_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               4020586
Aromatic Derivatives and Tellurium Analogues of Cyclic Seleninate Esters and Spirodioxyselenuranes That Act as Glutathione Peroxidase Mimetics
Thomas G. Back; Dušan Kuzma; Masood Parvez; Journal of Organic Chemistry 70 (2005) 9230–9236; doi:10.1021/jo0512711

data_4020587
_publ_section_title
;
 Aromatic Derivatives and Tellurium Analogues of
 Cyclic Seleninate Esters and Spirodioxyselenuranes
 That Act as Glutathione Peroxidase Mimetics
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9230
_journal_page_last               9236
_journal_paper_doi               10.1021/jo0512711
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C12 H24 O7 Te2'
_chemical_formula_weight         535.51
_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                 107.27(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.345(9)
_cell_length_b                   10.237(4)
_cell_length_c                   8.191(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1629.0(11)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.183
_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               4020587
A Brief and Convergent Synthetic Route to Defucogilvocarcin M Chromophore: The Formal Synthesis of WS-5995 A and C
Asit Patra; Pallab Pahari; Sutapa Ray; Dipakranjan Mal; Journal of Organic Chemistry 70 (2005) 9017–9020; doi:10.1021/jo0512960

data_4020588
_publ_section_title
;
 A Brief and Convergent Synthetic Route to
 Defucogilvocarcin M Chromophore: The Formal Synthesis
 of WS-5995 A and C
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9017
_journal_page_last               9020
_journal_paper_doi               10.1021/jo0512960
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C26 H19 O7 S'
_chemical_formula_weight         516.60
_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                90.00
_cell_angle_beta                 104.92
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.323
_cell_length_b                   25.216
_cell_length_c                   10.559
_cell_measurement_temperature    293(2)
_cell_volume                     2141.3
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    0.401
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C26 H19 O7 S1'
_cod_database_code               4020588
Double Diastereoselection in Aldol Reactions Mediated by Dicyclohexylchloroborane between Chiral Aldehydes and a Chiral Ethyl Ketone Derived from L-Erythrulose. Synthesis of a C1-C9 Fragment of the Structure of the Antifungal Metabolite Soraphen A~1α~
Santiago Díaz-Oltra; Juan Murga; Eva Falomir; Miguel Carda; Gabriel Peris; J. Alberto Marco; Journal of Organic Chemistry 70 (2005) 8130–8139; doi:10.1021/jo051307p

data_4020589
_publ_section_title
;
 Double Diastereoselection in Aldol Reactions Mediated
 by Dicyclohexylchloroborane between Chiral Aldehydes
 and a Chiral Ethyl Ketone Derived from L-Erythrulose.
 Synthesis of a C1-C9 Fragment of the Structure of the
 Antifungal Metabolite Soraphen A~1\a~
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8130
_journal_page_last               8139
_journal_paper_doi               10.1021/jo051307p
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C34 H50 O5 Si'
_chemical_formula_weight         566.83
_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                   7.8941(10)
_cell_length_b                   15.213(2)
_cell_length_c                   27.777(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3335.8(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.129
_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               4020589
Double Diastereoselection in Aldol Reactions Mediated by Dicyclohexylchloroborane between Chiral Aldehydes and a Chiral Ethyl Ketone Derived from L-Erythrulose. Synthesis of a C1-C9 Fragment of the Structure of the Antifungal Metabolite Soraphen A~1α~
Santiago Díaz-Oltra; Juan Murga; Eva Falomir; Miguel Carda; Gabriel Peris; J. Alberto Marco; Journal of Organic Chemistry 70 (2005) 8130–8139; doi:10.1021/jo051307p

data_4020590
_publ_section_title
;
 Double Diastereoselection in Aldol Reactions Mediated
 by Dicyclohexylchloroborane between Chiral Aldehydes
 and a Chiral Ethyl Ketone Derived from L-Erythrulose.
 Synthesis of a C1-C9 Fragment of the Structure of the
 Antifungal Metabolite Soraphen A~1\a~
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8130
_journal_page_last               8139
_journal_paper_doi               10.1021/jo051307p
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C34 H50 O5 Si'
_chemical_formula_weight         558.03
_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                 90.167(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            110
_cell_length_a                   15.0425(9)
_cell_length_b                   18.9412(11)
_cell_length_c                   23.4689(14)
_cell_measurement_temperature    273(2)
_cell_volume                     6686.8(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.126
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C34 H50 O5 Si1'
_cod_database_code               4020590
o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity
Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher; Journal of Organic Chemistry 70 (2005) 9237–9247; doi:10.1021/jo051309+

data_4020591
_publ_section_title
;
 o-Hydroxylmethylphenylchalcogens: Synthesis,
 Intramolecular Nonbonded Chalcogen&#x00B7;&#x00B7;&#x00B7;OH Interactions,
 and Glutathione Peroxidase-like Activity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9237
_journal_page_last               9247
_journal_paper_doi               10.1021/jo051309+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C14 H14 O2 Se2'
_chemical_formula_weight         372.17
_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                 107.33(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.946(2)
_cell_length_b                   10.576(2)
_cell_length_c                   12.964(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1301.7(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.899
_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               4020591
o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity
Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher; Journal of Organic Chemistry 70 (2005) 9237–9247; doi:10.1021/jo051309+

data_4020592
_publ_section_title
;
 o-Hydroxylmethylphenylchalcogens: Synthesis,
 Intramolecular Nonbonded Chalcogen&#x00B7;&#x00B7;&#x00B7;OH Interactions,
 and Glutathione Peroxidase-like Activity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9237
_journal_page_last               9247
_journal_paper_doi               10.1021/jo051309+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C7 H6 O2 Se'
_chemical_formula_weight         201.08
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   6.4768(6)
_cell_length_b                   15.168(2)
_cell_length_c                   13.6745(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1343.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.988
_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               4020592
o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity
Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher; Journal of Organic Chemistry 70 (2005) 9237–9247; doi:10.1021/jo051309+

data_4020593
_publ_section_title
;
 o-Hydroxylmethylphenylchalcogens: Synthesis,
 Intramolecular Nonbonded Chalcogen&#x00B7;&#x00B7;&#x00B7;OH Interactions,
 and Glutathione Peroxidase-like Activity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9237
_journal_page_last               9247
_journal_paper_doi               10.1021/jo051309+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C14 H12 O2 Se'
_chemical_formula_weight         291.20
_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                 93.432(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9213(16)
_cell_length_b                   11.6525(15)
_cell_length_c                   9.3047(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1182.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.636
_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               4020593
o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity
Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher; Journal of Organic Chemistry 70 (2005) 9237–9247; doi:10.1021/jo051309+

data_4020594
_publ_section_title
;
 o-Hydroxylmethylphenylchalcogens: Synthesis,
 Intramolecular Nonbonded Chalcogen&#x00B7;&#x00B7;&#x00B7;OH Interactions,
 and Glutathione Peroxidase-like Activity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9237
_journal_page_last               9247
_journal_paper_doi               10.1021/jo051309+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C14 H14 O2 Te2'
_chemical_formula_weight         469.45
_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                 104.8850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1688(6)
_cell_length_b                   10.8693(7)
_cell_length_c                   13.4716(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1439.02(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.167
_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               4020594
o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity
Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher; Journal of Organic Chemistry 70 (2005) 9237–9247; doi:10.1021/jo051309+

data_4020595
_publ_section_title
;
 o-Hydroxylmethylphenylchalcogens: Synthesis,
 Intramolecular Nonbonded Chalcogen&#x00B7;&#x00B7;&#x00B7;OH Interactions,
 and Glutathione Peroxidase-like Activity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9237
_journal_page_last               9247
_journal_paper_doi               10.1021/jo051309+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C14 H12 Cl2 Te2'
_chemical_formula_weight         506.34
_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                 97.670(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.144(2)
_cell_length_b                   8.0642(7)
_cell_length_c                   8.0329(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1550.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.170
_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               4020595
o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity
Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher; Journal of Organic Chemistry 70 (2005) 9237–9247; doi:10.1021/jo051309+

data_4020596
_publ_section_title
;
 o-Hydroxylmethylphenylchalcogens: Synthesis,
 Intramolecular Nonbonded Chalcogen&#x00B7;&#x00B7;&#x00B7;OH Interactions,
 and Glutathione Peroxidase-like Activity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9237
_journal_page_last               9247
_journal_paper_doi               10.1021/jo051309+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C16 H18 O4 Te2'
_chemical_formula_weight         529.50
_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                 135.036(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.645(6)
_cell_length_b                   9.494(2)
_cell_length_c                   18.848(5)
_cell_measurement_temperature    103(2)
_cell_volume                     3369.2(14)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    2.088
_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               4020596
The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes
José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín; Journal of Organic Chemistry 70 (2005) 8825–8834; doi:10.1021/jo0513111

data_4020597
_publ_section_title
;
 The Role of the Sulfinyl Group on the Course of
 the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones.
 Synthetic Uses of Cycloreversion Processes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8825
_journal_page_last               8834
_journal_paper_doi               10.1021/jo0513111
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C17 H21 N O5 S'
_chemical_formula_weight         351.41
_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                 92.62(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.044(2)
_cell_length_b                   8.412(2)
_cell_length_c                   13.015(3)
_cell_measurement_temperature    296(2)
_cell_volume                     879.8(3)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.327
_refine_ls_R_factor_obs          0.0406
_refine_ls_wR_factor_obs         0.1142
_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               4020597