LMucko/crystallography-open-database huggingface dataset:
Derivative of α,β-Dicyanostilbene: Convenient Precursor for the Synthesis of Diphenylmaleimide Compounds, E-Z Isomerization, Crystal Structure, and Solid-State Fluorescence
Hsiu-Chih Yeh; Wei-Ching Wu; Yuh-Sheng Wen; De-Chang Dai; Juen-Kai Wang; Chin-Ti Chen; Journal of Organic Chemistry 69 (2004) 6455–6462; doi:10.1021/jo049512c

data_4021257
_publ_section_title
;
 Derivative of \a,\b-Dicyanostilbene: Convenient Precursor
 for the Synthesis of Diphenylmaleimide Compounds,
 E-Z Isomerization, Crystal Structure, and Solid-State Fluorescence
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6455
_journal_page_last               6462
_journal_paper_doi               10.1021/jo049512c
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C18 H8 F6 N2'
_chemical_formula_weight         366.26
_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                 115.331(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.0332(10)
_cell_length_b                   11.976(2)
_cell_length_c                   8.7210(13)
_cell_measurement_temperature    150(1)
_cell_volume                     758.34(19)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.604
_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               4021257
Enantioselective Synthesis of Primary 1-(Aryl)alkylamines by Nucleophilic 1,2-Addition of Organolithium Reagents to Hydroxyoxime Ethers and Application to Asymmetric Synthesis of G-Protein-Coupled Receptor Ligands
Masakazu Atobe; Naoki Yamazaki; Chihiro Kibayashi; Journal of Organic Chemistry 69 (2004) 5595–5607; doi:10.1021/jo049517+

data_4021258
_publ_section_title
;
 Enantioselective Synthesis of Primary 1-(Aryl)alkylamines
 by Nucleophilic 1,2-Addition of Organolithium
 Reagents to Hydroxyoxime Ethers and Application to Asymmetric
 Synthesis of G-Protein-Coupled Receptor Ligands
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5595
_journal_page_last               5607
_journal_paper_doi               10.1021/jo049517+
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C16 H17 N O2'
_chemical_formula_sum            'C16 H17 N O2'
_chemical_formula_weight         255.31
_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                 95.724(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.5250(2)
_cell_length_b                   30.9290(13)
_cell_length_c                   8.1140(4)
_cell_measurement_temperature    100(2)
_cell_volume                     1379.63(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.229
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4021258
Virtually Complete Control of Simple and Face Diastereoselectivity in the Michael Addition Reactions between Achiral Equivalents of a Nucleophilic Glycine and (S)- or (R)-3-(E-Enoyl)-4-phenyl-1,3-oxazolidin-2-ones: Practical Method for Preparation of β-Substituted Pyroglutamic Acids and Prolines
Vadim A. Soloshonok; Hisanori Ueki; Rohit Tiwari; Chaozhong Cai; Victor J. Hruby; Journal of Organic Chemistry 69 (2004) 4984–4990; doi:10.1021/jo0495438

data_4021259
_publ_section_title
;
 Virtually Complete Control of Simple and Face Diastereoselectivity
 in the Michael Addition Reactions between Achiral
 Equivalents of a Nucleophilic Glycine and (S)- or
 (R)-3-(E-Enoyl)-4-phenyl-1,3-oxazolidin-2-ones:
 Practical Method for Preparation of \b-Substituted
 Pyroglutamic Acids and Prolines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4984
_journal_page_last               4990
_journal_paper_doi               10.1021/jo0495438
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C41.8 H30.8 Cl5.4 F3 N4 Ni O6'
_chemical_formula_weight         992.24
_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                   10.6008(7)
_cell_length_b                   17.7561(12)
_cell_length_c                   22.3322(15)
_cell_measurement_temperature    110(2)
_cell_volume                     4203.6(5)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      0.8314
_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_original_formula_sum        'C41.80 H30.80 Cl5.40 F3 N4 Ni O6'
_cod_database_code               4021259
Virtually Complete Control of Simple and Face Diastereoselectivity in the Michael Addition Reactions between Achiral Equivalents of a Nucleophilic Glycine and (S)- or (R)-3-(E-Enoyl)-4-phenyl-1,3-oxazolidin-2-ones: Practical Method for Preparation of β-Substituted Pyroglutamic Acids and Prolines
Vadim A. Soloshonok; Hisanori Ueki; Rohit Tiwari; Chaozhong Cai; Victor J. Hruby; Journal of Organic Chemistry 69 (2004) 4984–4990; doi:10.1021/jo0495438

data_4021260
_publ_section_title
;
 Virtually Complete Control of Simple and Face Diastereoselectivity
 in the Michael Addition Reactions between Achiral
 Equivalents of a Nucleophilic Glycine and (S)- or
 (R)-3-(E-Enoyl)-4-phenyl-1,3-oxazolidin-2-ones:
 Practical Method for Preparation of \b-Substituted
 Pyroglutamic Acids and Prolines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4984
_journal_page_last               4990
_journal_paper_doi               10.1021/jo0495438
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C36 H34 Cl2 N4 Ni O8'
_chemical_formula_weight         780.28
_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                   13.416(3)
_cell_length_b                   14.882(3)
_cell_length_c                   16.949(3)
_cell_measurement_temperature    110(2)
_cell_volume                     3384.1(11)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.532
_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               4021260
General One-Pot, Three-Step Methodology Leading to an Extended Class of N-Heterocyclic Cations: Spontaneous Nucleophilic Addition, Cyclization, and Hydride Loss
Alexis D. C. Parenty; Louise V. Smith; Alexandra L. Pickering; De-Liang Long; Leroy Cronin; Journal of Organic Chemistry 69 (2004) 5934–5946; doi:10.1021/jo0495440

data_4021261
_publ_section_title
;
 General One-Pot, Three-Step Methodology Leading to
 an Extended Class of N-Heterocyclic Cations:
 Spontaneous Nucleophilic Addition, Cyclization, and Hydride Loss
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5934
_journal_page_last               5946
_journal_paper_doi               10.1021/jo0495440
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         '(C22 H19 N2 O +), (Br -)'
_chemical_formula_sum            'C22 H19 Br N2 O'
_chemical_formula_weight         407.30
_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                 106.3650(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.48210(10)
_cell_length_b                   14.2325(2)
_cell_length_c                   12.5420(2)
_cell_measurement_temperature    150(2)
_cell_volume                     1795.29(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.507
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4021261
First Synthesis and Structure of β-Ketoimine Calix[4]arenes: Complexation and Extraction Studies
Hatem Halouani; Isabelle Dumazet-Bonnamour; Monique Perrin; Roger Lamartine; Journal of Organic Chemistry 69 (2004) 6521–6527; doi:10.1021/jo0495485

data_4021262
_publ_section_title
;
 First Synthesis and Structure of \b-Ketoimine Calix[4]arenes:
 Complexation and Extraction Studies
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6521
_journal_page_last               6527
_journal_paper_doi               10.1021/jo0495485
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C36 H34 O4 N2,C2 H3 N1'
_chemical_formula_sum            'C38 H37 N3 O4'
_chemical_formula_weight         599.71
_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                 103.04(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.604(2)
_cell_length_b                   20.826(4)
_cell_length_c                   14.896(3)
_cell_measurement_temperature    173(2)
_cell_volume                     3204.8(11)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.243
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-01-29
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4021262
First Synthesis and Structure of β-Ketoimine Calix[4]arenes: Complexation and Extraction Studies
Hatem Halouani; Isabelle Dumazet-Bonnamour; Monique Perrin; Roger Lamartine; Journal of Organic Chemistry 69 (2004) 6521–6527; doi:10.1021/jo0495485

data_4021263
_publ_section_title
;
 First Synthesis and Structure of \b-Ketoimine Calix[4]arenes:
 Complexation and Extraction Studies
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6521
_journal_page_last               6527
_journal_paper_doi               10.1021/jo0495485
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C52 H60 O4 N4,C1 H2 Cl2'
_chemical_formula_sum            'C53 H60 Cl2 N4 O4'
_chemical_formula_weight         887.95
_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                 108.92(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.579(3)
_cell_length_b                   13.251(3)
_cell_length_c                   24.292(5)
_cell_measurement_temperature    173(2)
_cell_volume                     5048.6(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.168
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4021263
First Synthesis and Structure of β-Ketoimine Calix[4]arenes: Complexation and Extraction Studies
Hatem Halouani; Isabelle Dumazet-Bonnamour; Monique Perrin; Roger Lamartine; Journal of Organic Chemistry 69 (2004) 6521–6527; doi:10.1021/jo0495485

data_4021264
_publ_section_title
;
 First Synthesis and Structure of \b-Ketoimine Calix[4]arenes:
 Complexation and Extraction Studies
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6521
_journal_page_last               6527
_journal_paper_doi               10.1021/jo0495485
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C42 H46 N2 O6'
_chemical_formula_sum            'C42 H46 N2 O6'
_chemical_formula_weight         674.81
_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                87.57(3)
_cell_angle_beta                 81.38(3)
_cell_angle_gamma                71.05(3)
_cell_formula_units_Z            2
_cell_length_a                   11.505(2)
_cell_length_b                   11.831(2)
_cell_length_c                   13.798(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1756.3(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.276
_cod_database_code               4021264
Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers
Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch; Journal of Organic Chemistry 69 (2004) 6323–6328; doi:10.1021/jo049551o

data_4021265
_publ_section_title
;
 Synthesis of Mono- and Difluoroacetyltrialkylsilanes
 and the Corresponding Enol Silyl Ethers
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6323
_journal_page_last               6328
_journal_paper_doi               10.1021/jo049551o
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C23 H24 F2 O Si2'
_chemical_formula_sum            'C23 H24 F2 O Si2'
_chemical_formula_weight         410.60
_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                85.99(4)
_cell_angle_beta                 83.30(4)
_cell_angle_gamma                67.900(4)
_cell_formula_units_Z            2
_cell_length_a                   8.626(4)
_cell_length_b                   9.510(5)
_cell_length_c                   15.009(8)
_cell_measurement_temperature    296(2)
_cell_volume                     1132.5(10)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.204
_cod_database_code               4021265
Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers
Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch; Journal of Organic Chemistry 69 (2004) 6323–6328; doi:10.1021/jo049551o

data_4021266
_publ_section_title
;
 Synthesis of Mono- and Difluoroacetyltrialkylsilanes
 and the Corresponding Enol Silyl Ethers
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6323
_journal_page_last               6328
_journal_paper_doi               10.1021/jo049551o
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C23 H24 F2 O Si2'
_chemical_formula_sum            'C23 H24 F2 O Si2'
_chemical_formula_weight         410.60
_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                77.14(1)
_cell_angle_beta                 89.16(1)
_cell_angle_gamma                78.98(1)
_cell_formula_units_Z            4
_cell_length_a                   10.164(2)
_cell_length_b                   14.289(2)
_cell_length_c                   15.983(2)
_cell_measurement_temperature    296(2)
_cell_volume                     2220.4(6)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.228
_cod_database_code               4021266
Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers
Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch; Journal of Organic Chemistry 69 (2004) 6323–6328; doi:10.1021/jo049551o

data_4021267
_publ_section_title
;
 Synthesis of Mono- and Difluoroacetyltrialkylsilanes
 and the Corresponding Enol Silyl Ethers
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6323
_journal_page_last               6328
_journal_paper_doi               10.1021/jo049551o
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C38 H30 F2 O Si2'
_chemical_formula_sum            'C38 H30 F2 O Si2'
_chemical_formula_weight         596.80
_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                82.38(2)
_cell_angle_beta                 87.18(2)
_cell_angle_gamma                70.740(2)
_cell_formula_units_Z            2
_cell_length_a                   9.253(2)
_cell_length_b                   9.381(2)
_cell_length_c                   19.812(5)
_cell_measurement_temperature    296(2)
_cell_volume                     1609.1(6)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.232
_cod_database_code               4021267
Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers
Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch; Journal of Organic Chemistry 69 (2004) 6323–6328; doi:10.1021/jo049551o

data_4021268
_publ_section_title
;
 Synthesis of Mono- and Difluoroacetyltrialkylsilanes
 and the Corresponding Enol Silyl Ethers
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6323
_journal_page_last               6328
_journal_paper_doi               10.1021/jo049551o
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C20 H16 F2 O Si'
_chemical_formula_sum            'C20 H16 F2 O Si'
_chemical_formula_weight         338.42
_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                 96.87(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.635(4)
_cell_length_b                   28.691(11)
_cell_length_c                   7.983(3)
_cell_measurement_temperature    296(2)
_cell_volume                     1736.2(13)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.295
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4021268
Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers
Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch; Journal of Organic Chemistry 69 (2004) 6323–6328; doi:10.1021/jo049551o

data_4021269
_publ_section_title
;
 Synthesis of Mono- and Difluoroacetyltrialkylsilanes
 and the Corresponding Enol Silyl Ethers
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6323
_journal_page_last               6328
_journal_paper_doi               10.1021/jo049551o
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C20 H17 F O Si'
_chemical_formula_sum            'C20 H17 F O Si'
_chemical_formula_weight         320.43
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.9305(12)
_cell_length_b                   7.2465(6)
_cell_length_c                   28.317(2)
_cell_measurement_temperature    173(2)
_cell_volume                     3268.9(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.302
_cod_database_code               4021269
Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers
Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch; Journal of Organic Chemistry 69 (2004) 6323–6328; doi:10.1021/jo049551o

data_4021270
_publ_section_title
;
 Synthesis of Mono- and Difluoroacetyltrialkylsilanes
 and the Corresponding Enol Silyl Ethers
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6323
_journal_page_last               6328
_journal_paper_doi               10.1021/jo049551o
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C20 H15 F2 I O Si'
_chemical_formula_sum            'C20 H15 F2 I O Si'
_chemical_formula_weight         464.31
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.50(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.787(3)
_cell_length_b                   19.561(6)
_cell_length_c                   9.255(3)
_cell_measurement_temperature    296(2)
_cell_volume                     1943.9(10)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.587
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4021270