LMucko/crystallography-open-database huggingface dataset:
P-Heterocyclic Building Blocks: Application to the Stereoselective Synthesis of P-Sugars.
Diana S. Stoianova; Alan Whitehead; Paul R. Hanson; Journal of Organic Chemistry 70 (2005) 5880–5889; doi:10.1021/jo0505122

data_4020389
_publ_section_title
;
 P-Heterocyclic Building Blocks:  Application to the
 Stereoselective Synthesis of P-Sugars.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5880
_journal_page_last               5889
_journal_paper_doi               10.1021/jo0505122
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C11 H14 N3 O5 P'
_chemical_formula_sum            'C11 H14 N3 O5 P'
_chemical_formula_weight         299.22
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.409(4)
_cell_angle_beta                 74.124(4)
_cell_angle_gamma                81.613(4)
_cell_formula_units_Z            2
_cell_length_a                   8.1636(13)
_cell_length_b                   8.7184(14)
_cell_length_c                   10.1021(16)
_cell_measurement_temperature    100(2)
_cell_volume                     676.31(19)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.469
_cod_database_code               4020389
Ravindranadh V. Somu; Rodney L. Johnson; Journal of Organic Chemistry 70 (2005) 5954–5963; doi:10.1021/jo050529k

data_4020390
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5954
_journal_page_last               5963
_journal_paper_doi               10.1021/jo050529k
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C17 H26 N2 O5 S'
_chemical_formula_sum            'C17 H26 N2 O5 S'
_chemical_formula_weight         370.46
_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                   10.7925(16)
_cell_length_b                   11.2104(17)
_cell_length_c                   15.047(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1820.5(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.352
_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               4020390
Ravindranadh V. Somu; Rodney L. Johnson; Journal of Organic Chemistry 70 (2005) 5954–5963; doi:10.1021/jo050529k

data_4020391
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5954
_journal_page_last               5963
_journal_paper_doi               10.1021/jo050529k
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C21 H32 N4 O5 S'
_chemical_formula_sum            'C21 H32 N4 O5 S'
_chemical_formula_weight         452.57
_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                   9.8902(13)
_cell_length_b                   10.0941(13)
_cell_length_c                   23.188(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2314.9(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.299
_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               4020391
Ravindranadh V. Somu; Rodney L. Johnson; Journal of Organic Chemistry 70 (2005) 5954–5963; doi:10.1021/jo050529k

data_4020392
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5954
_journal_page_last               5963
_journal_paper_doi               10.1021/jo050529k
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C21 H32 N4 O5 S, H2 O'
_chemical_formula_sum            'C21 H34 N4 O6 S'
_chemical_formula_weight         470.58
_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                   11.476(2)
_cell_length_b                   14.104(2)
_cell_length_c                   14.630(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2367.9(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.320
_cod_database_code               4020392
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 70 (2005) 6647–6652; doi:10.1021/jo0505730

data_4020393
_publ_section_title
;
 Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts,
 Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole,
 and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6647
_journal_page_last               6652
_journal_paper_doi               10.1021/jo0505730
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C23 H20 N2 O3 S'
_chemical_formula_weight         404.47
_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                 107.9370(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6126(6)
_cell_length_b                   25.3430(17)
_cell_length_c                   8.5716(6)
_cell_measurement_temperature    295(2)
_cell_volume                     1986.7(2)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.352
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020393
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 70 (2005) 6647–6652; doi:10.1021/jo0505730

data_4020394
_publ_section_title
;
 Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts,
 Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole,
 and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6647
_journal_page_last               6652
_journal_paper_doi               10.1021/jo0505730
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C25 H26 N2 O4 S'
_chemical_formula_weight         450.54
_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                 97.206(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.7418(12)
_cell_length_b                   7.5791(7)
_cell_length_c                   25.423(3)
_cell_measurement_temperature    295(2)
_cell_volume                     2244.6(4)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.333
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4020394
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 70 (2005) 6647–6652; doi:10.1021/jo0505730

data_4020395
_publ_section_title
;
 Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts,
 Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole,
 and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6647
_journal_page_last               6652
_journal_paper_doi               10.1021/jo0505730
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C24 H21 N O4 S'
_chemical_formula_weight         419.48
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.386(3)
_cell_angle_beta                 94.215(4)
_cell_angle_gamma                95.746(4)
_cell_formula_units_Z            2
_cell_length_a                   7.9459(15)
_cell_length_b                   10.902(2)
_cell_length_c                   12.047(2)
_cell_measurement_temperature    295(2)
_cell_volume                     1028.1(4)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.355
_cod_database_code               4020395
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 70 (2005) 6647–6652; doi:10.1021/jo0505730

data_4020396
_publ_section_title
;
 Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts,
 Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole,
 and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6647
_journal_page_last               6652
_journal_paper_doi               10.1021/jo0505730
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C22 H25 Cl N2'
_chemical_formula_weight         352.89
_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                 108.971(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6260(16)
_cell_length_b                   20.419(3)
_cell_length_c                   9.0204(12)
_cell_measurement_temperature    295(2)
_cell_volume                     1850.8(5)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.266
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020396
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 70 (2005) 6647–6652; doi:10.1021/jo0505730

data_4020397
_publ_section_title
;
 Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts,
 Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole,
 and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6647
_journal_page_last               6652
_journal_paper_doi               10.1021/jo0505730
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C20 H14 N2'
_chemical_formula_weight         282.33
_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                 95.253(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1159(12)
_cell_length_b                   11.3755(11)
_cell_length_c                   10.6198(10)
_cell_measurement_temperature    295(2)
_cell_volume                     1457.5(2)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.287
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020397
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 70 (2005) 6647–6652; doi:10.1021/jo0505730

data_4020398
_publ_section_title
;
 Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts,
 Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole,
 and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6647
_journal_page_last               6652
_journal_paper_doi               10.1021/jo0505730
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C22 H15 N O'
_chemical_formula_weight         309.35
_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                 91.058(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2246(8)
_cell_length_b                   11.6340(11)
_cell_length_c                   14.7700(14)
_cell_measurement_temperature    295(2)
_cell_volume                     1584.8(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.297
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020398
Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé; Journal of Organic Chemistry 70 (2005) 6254–6257; doi:10.1021/jo0505876

data_4020399
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6254
_journal_page_last               6257
_journal_paper_doi               10.1021/jo0505876
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C59 H75 N3 O4 S5'
_chemical_formula_sum            'C59 H75 N3 O4 S5'
_chemical_formula_weight         1050.52
_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                 110.700(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5015(8)
_cell_length_b                   35.409(2)
_cell_length_c                   14.2168(10)
_cell_measurement_temperature    200(2)
_cell_volume                     5887.1(7)
_exptl_crystal_density_diffrn    1.185
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               4020399
Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé; Journal of Organic Chemistry 70 (2005) 6254–6257; doi:10.1021/jo0505876

data_4020400
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6254
_journal_page_last               6257
_journal_paper_doi               10.1021/jo0505876
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C117 H149 Cl2 N5 O8 S8'
_chemical_formula_sum            'C117 H149 Cl2 N5 O8 S8'
_chemical_formula_weight         2080.44
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.9144(9)
_cell_length_b                   23.4190(13)
_cell_length_c                   38.574(3)
_cell_measurement_temperature    293(2)
_cell_volume                     11666.4(14)
_exptl_crystal_density_diffrn    1.185
_cod_database_code               4020400
Solution Structure and Chelation Properties of 2-Thienyllithium Reagents
Kevin L. Jantzi; Craig L. Puckett; Ilia A. Guzei; Hans J. Reich; Journal of Organic Chemistry 70 (2005) 7520–7529; doi:10.1021/jo050592+

data_4020401
_publ_section_title
;
 Solution Structure and Chelation Properties
 of 2-Thienyllithium Reagents
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7520
_journal_page_last               7529
_journal_paper_doi               10.1021/jo050592+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C20 H30 Li2 O4 S2'
_chemical_formula_weight         412.44
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.308(4)
_cell_angle_beta                 106.610(4)
_cell_angle_gamma                113.598(4)
_cell_formula_units_Z            1
_cell_length_a                   8.047(2)
_cell_length_b                   8.266(2)
_cell_length_c                   10.044(3)
_cell_measurement_temperature    100(2)
_cell_volume                     548.8(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.248
_cod_database_code               4020401
Synthesis and Properties of Nucleic Acid Analogues Consisting of a Benzene-Phosphate Backbone
Yoshihito Ueno; Takumi Kato; Kumiko Sato; Yasutomo Ito; Mahito Yoshida; Takumi Inoue; Aya Shibata; Masahiro Ebihara; Yukio Kitade; Journal of Organic Chemistry 70 (2005) 7925–7935; doi:10.1021/jo050635m

data_4020402
_publ_section_title
;
 Synthesis and Properties of Nucleic Acid Analogues
 Consisting of a Benzene-Phosphate Backbone
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7925
_journal_page_last               7935
_journal_paper_doi               10.1021/jo050635m
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C12 H12 N2 O4'
_chemical_formula_sum            'C12 H12 N2 O4'
_chemical_formula_weight         248.24
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.022(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.354(4)
_cell_length_b                   22.74(2)
_cell_length_c                   12.12(1)
_cell_measurement_temperature    296.2
_cell_volume                     1159.0(18)
_exptl_crystal_density_diffrn    1.423
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4020402
Silatropic Carbonyl Ene Cyclizations in the Synthesis of Pseudosugars and Hydroxylated Piperidines
Jeremy Robertson; Petra M. Stafford; Stephen J. Bell; Journal of Organic Chemistry 70 (2005) 7133–7148; doi:10.1021/jo050644v

data_4020403
_publ_section_title
;
 Silatropic Carbonyl Ene Cyclizations in the Synthesis
 of Pseudosugars and Hydroxylated Piperidines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7133
_journal_page_last               7148
_journal_paper_doi               10.1021/jo050644v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C14 H16 O2'
_chemical_formula_sum            'C14 H16 O2'
_chemical_formula_weight         216.28
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ac 2bc'
_space_group_name_H-M_alt        'P n a a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2bc'
_symmetry_space_group_name_H-M   'P n a a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.4023(2)
_cell_length_b                   16.1062(4)
_cell_length_c                   17.4221(6)
_cell_measurement_temperature    150
_cell_volume                     2357.72(11)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.219
_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               4020403
Jonathan L. Sessler; Won-Seob Cho; Dustin E. Gross; James A. Shriver; Vincent M. Lynch; Manuel Márquez; Journal of Organic Chemistry 70 (2005) 5982–5986; doi:10.1021/jo050662c

data_4020404
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5982
_journal_page_last               5986
_journal_paper_doi               10.1021/jo050662c
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C57 H88 F10 N6 O5'
_chemical_formula_weight         1127.33
_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                 99.361(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4814(1)
_cell_length_b                   36.1664(5)
_cell_length_c                   14.6605(2)
_cell_measurement_temperature    153(2)
_cell_volume                     6006.57(13)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.247
_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               4020404