LMucko/crystallography-open-database huggingface dataset:
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_4021271
_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         'C27 H20 F2 O2 Si'
_chemical_formula_sum            'C27 H20 F2 O2 Si'
_chemical_formula_weight         442.52
_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                85.81(1)
_cell_angle_beta                 71.51(1)
_cell_angle_gamma                83.29(1)
_cell_formula_units_Z            2
_cell_length_a                   9.871(2)
_cell_length_b                   9.926(2)
_cell_length_c                   12.366(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1140.4(4)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.289
_cod_database_code               4021271
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_4021272
_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         'C27 H46 Cu F8 O5 Si2'
_chemical_formula_sum            'C27 H46 Cu F8 O5 Si2'
_chemical_formula_weight         722.36
_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                 114.12(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.193(4)
_cell_length_b                   19.517(6)
_cell_length_c                   15.745(6)
_cell_measurement_temperature    296(2)
_cell_volume                     3700(2)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.297
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4021272
Preparation and Properties of Phosphaethynes Bearing Bulky Aryl Groups with Electron-Donating Substituents at the Para Position
Kozo Toyota; Subaru Kawasaki; Masaaki Yoshifuji; Journal of Organic Chemistry 69 (2004) 5065–5070; doi:10.1021/jo049571q

data_4021273
_publ_section_title
;
 Preparation and Properties of Phosphaethynes Bearing
 Bulky Aryl Groups with Electron-Donating Substituents
 at the Para Position
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5065
_journal_page_last               5070
_journal_paper_doi               10.1021/jo049571q
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C17 H26 N P '
_chemical_formula_sum            'C17 H26 N P'
_chemical_formula_weight         275.37
_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                 93.24(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.230(4)
_cell_length_b                   11.190(6)
_cell_length_c                   14.989(5)
_cell_measurement_temperature    203.2
_cell_volume                     1713(1)
_exptl_crystal_density_diffrn    1.068
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C17 H26 N P '
_cod_database_code               4021273
Probing the Formation of Bicyclo[4.2.0]octan-1-ols
Wendy A. Loughlin; Catherine C. Rowen; Peter C. Healy; Journal of Organic Chemistry 69 (2004) 5690–5698; doi:10.1021/jo049576n

data_4021274
_publ_section_title
;
 Probing the Formation of Bicyclo[4.2.0]octan-1-ols
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5690
_journal_page_last               5698
_journal_paper_doi               10.1021/jo049576n
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C30 H40 O4 S2'
_chemical_formula_weight         528.76
_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
_cell_angle_beta                 108.77(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.99(1)
_cell_length_b                   11.47(1)
_cell_length_c                   13.073(5)
_cell_measurement_temperature    295.2
_cell_volume                     1417(2)
_diffrn_ambient_temperature      295.2
_exptl_crystal_density_diffrn    1.239
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4021274
Probing the Formation of Bicyclo[4.2.0]octan-1-ols
Wendy A. Loughlin; Catherine C. Rowen; Peter C. Healy; Journal of Organic Chemistry 69 (2004) 5690–5698; doi:10.1021/jo049576n

data_4021275
_publ_section_title
;
 Probing the Formation of Bicyclo[4.2.0]octan-1-ols
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5690
_journal_page_last               5698
_journal_paper_doi               10.1021/jo049576n
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C15 H20 O2 S '
_chemical_formula_sum            'C15 H20 O2 S'
_chemical_formula_weight         264.38
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.237(2)
_cell_length_b                   25.003(6)
_cell_length_c                   6.240(2)
_cell_measurement_temperature    295.2
_cell_volume                     1441.2(6)
_diffrn_ambient_temperature      295.2
_exptl_crystal_density_diffrn    1.218
_cod_original_formula_sum        'C15 H20 O2 S '
_cod_database_code               4021275
A Convenient Protocol for the Synthesis of Ligands from a 4-Methyl-3,5-diacylaminophenyl Platform
Guillaume Pickaert; Michèle Cesario; Raymond Ziessel; Journal of Organic Chemistry 69 (2004) 5335–5341; doi:10.1021/jo049587g

data_4021276
_publ_section_title
;
 A Convenient Protocol for the Synthesis of Ligands
 from a 4-Methyl-3,5-diacylaminophenyl Platform
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5335
_journal_page_last               5341
_journal_paper_doi               10.1021/jo049587g
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C40 H36 N4 O8 '
_chemical_formula_structural     'C40 H36 N4 O8'
_chemical_formula_sum            'C40 H36 N4 O8'
_chemical_formula_weight         700.73
_chemical_name_common            ' mesomorphic phenanthroline derivative'
_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                68.88(5)
_cell_angle_beta                 80.04(5)
_cell_angle_gamma                79.18(5)
_cell_formula_units_Z            2
_cell_length_a                   8.974(2)
_cell_length_b                   12.086(2)
_cell_length_c                   17.068(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1684.8(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.381
_cod_database_code               4021276
A Convenient Protocol for the Synthesis of Ligands from a 4-Methyl-3,5-diacylaminophenyl Platform
Guillaume Pickaert; Michèle Cesario; Raymond Ziessel; Journal of Organic Chemistry 69 (2004) 5335–5341; doi:10.1021/jo049587g

data_4021277
_publ_section_title
;
 A Convenient Protocol for the Synthesis of Ligands
 from a 4-Methyl-3,5-diacylaminophenyl Platform
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5335
_journal_page_last               5341
_journal_paper_doi               10.1021/jo049587g
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C42 H37 N5 O8'
_chemical_formula_weight         739.77
_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                79.47(3)
_cell_angle_beta                 86.76(3)
_cell_angle_gamma                82.48(3)
_cell_formula_units_Z            2
_cell_length_a                   8.809(3)
_cell_length_b                   12.032(5)
_cell_length_c                   16.928(6)
_cell_measurement_temperature    177(2)
_cell_volume                     1747.9(11)
_diffrn_ambient_temperature      177(2)
_exptl_crystal_density_diffrn    1.406
_cod_database_code               4021277
Studies on the Regio- and Stereoselectivity of Halohydroxylation of 1,2-Allenyl Sulfides or Selenides
Shengming Ma; Xueshi Hao; Xiaofeng Meng; Xian Huang; Journal of Organic Chemistry 69 (2004) 5720–5724; doi:10.1021/jo049593c

data_4021278
_publ_section_title
;
 Studies on the Regio- and Stereoselectivity of
 Halohydroxylation of 1,2-Allenyl Sulfides or Selenides
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5720
_journal_page_last               5724
_journal_paper_doi               10.1021/jo049593c
_journal_volume                  69
_journal_year                    2004
_chemical_absolute_configuration ad
_chemical_formula_sum            'C9 H8 Br I O Se'
_chemical_formula_weight         417.92
_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                 110.230(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.6887(17)
_cell_length_b                   4.4071(7)
_cell_length_c                   12.1232(18)
_cell_measurement_temperature    293(2)
_cell_volume                     585.98(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.369
_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               4021278
A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System
Khan, Faiz Ahmed; Satapathy, Rashmirekha; Dash, Jyotirmayee; Savitha, G.; Journal of Organic Chemistry 69 (2004) 5295–5301; doi:10.1021/jo049615v

data_4021279
_publ_section_title
;
 A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System
;
_journal_coden_ASTM              JOCEAH
_journal_issue                   16
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5295
_journal_page_last               5301
_journal_paper_doi               10.1021/jo049615v
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C13 H12 Br2 O3'
_chemical_formula_weight         752.09
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 95.939(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            8
_cell_length_a                   9.788(5)
_cell_length_b                   11.371(5)
_cell_length_c                   24.734(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2738.1(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.824
_cod_original_sg_symbol_H-M      'I 2/c'
_cod_database_code               4021279
A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System
Khan, Faiz Ahmed; Satapathy, Rashmirekha; Dash, Jyotirmayee; Savitha, G.; Journal of Organic Chemistry 69 (2004) 5295–5301; doi:10.1021/jo049615v

data_4021280
_publ_section_title
;
 A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System
;
_journal_coden_ASTM              JOCEAH
_journal_issue                   16
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5295
_journal_page_last               5301
_journal_paper_doi               10.1021/jo049615v
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C13 H18 Br2 O3'
_chemical_formula_weight         382.09
_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                90.000(5)
_cell_angle_beta                 91.264(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   8.568(5)
_cell_length_b                   13.871(5)
_cell_length_c                   12.203(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1449.9(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.750
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4021280
Approach to 3-Aminoindolin-2-ones via Oxime Ether Functionalized Carbamoylcyclohexadienes
A. Franco Bella; Alexandra M. Z. Slawin; John C. Walton; Journal of Organic Chemistry 69 (2004) 5926–5933; doi:10.1021/jo049617f

data_4021281
_publ_section_title
;
 Approach to 3-Aminoindolin-2-ones via Oxime Ether
 Functionalized Carbamoylcyclohexadienes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5926
_journal_page_last               5933
_journal_paper_doi               10.1021/jo049617f
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C42 H38 N2 O2'
_chemical_formula_sum            'C42 H38 N2 O2'
_chemical_formula_weight         602.74
_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                84.841(3)
_cell_angle_beta                 83.997(3)
_cell_angle_gamma                72.819(3)
_cell_formula_units_Z            2
_cell_length_a                   8.4178(15)
_cell_length_b                   12.781(2)
_cell_length_c                   16.416(3)
_cell_measurement_temperature    125(2)
_cell_volume                     1674.9(5)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.195
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               4021281
C~2~-Symmetric Diphosphinite Ligands Derived from Carbohydrates. The Strong Influence of Remote Stereocenters on Asymmetric Rhodium-Catalyzed Hydrogenation
Mohamed Aghmiz; Ali Aghmiz; Yolanda Díaz; Anna Masdeu-Bultó; Carmen Claver; Sergio Castillón; Journal of Organic Chemistry 69 (2004) 7502–7510; doi:10.1021/jo0496502

data_4021282
_publ_section_title
;
 C~2~-Symmetric Diphosphinite Ligands Derived from Carbohydrates.
 The Strong Influence of Remote Stereocenters
 on Asymmetric Rhodium-Catalyzed Hydrogenation
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7502
_journal_page_last               7510
_journal_paper_doi               10.1021/jo0496502
_journal_volume                  69
_journal_year                    2004
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C80 H92 B2 Cl8 F8 O6 P4 Rh2'
_chemical_formula_sum            'C80 H92 B2 Cl8 F8 O6 P4 Rh2'
_chemical_formula_weight         968.23
_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
_cell_angle_beta                 94.683(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.0767(19)
_cell_length_b                   20.018(4)
_cell_length_c                   19.139(3)
_cell_measurement_temperature    125.0(1)
_cell_volume                     4229.6(13)
_diffrn_ambient_temperature      125.0(1)
_exptl_crystal_density_diffrn    1.521
_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               4021282
Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Olefins Using Monodentate Spiro Phosphoramidite Ligands
Yu Fu; Xun-Xiang Guo; Shou-Fei Zhu; Ai-Guo Hu; Jian-Hua Xie; Qi-Lin Zhou; Journal of Organic Chemistry 69 (2004) 4648–4655; doi:10.1021/jo049655z

data_4021283
_publ_section_title
;
 Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized
 Olefins Using Monodentate Spiro Phosphoramidite Ligands
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4648
_journal_page_last               4655
_journal_paper_doi               10.1021/jo049655z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C47 H55 Cl2 N2 O5 P2 Rh'
_chemical_formula_weight         963.68
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.495(2)
_cell_length_b                   10.495(2)
_cell_length_c                   42.528(12)
_cell_measurement_temperature    293(2)
_cell_volume                     4684.1(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.367
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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               4021283
New Heterocyclic β-Sheet Ligands with Peptidic Recognition Elements
P. Rzepecki; H. Gallmeier; N. Geib; Katarina Cernovska; B. König; T. Schrader; Journal of Organic Chemistry 69 (2004) 5168–5178; doi:10.1021/jo0496603

data_4021284
_publ_section_title
;
 New Heterocyclic \b-Sheet Ligands with Peptidic
 Recognition Elements
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5168
_journal_page_last               5178
_journal_paper_doi               10.1021/jo0496603
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C8 H11 N3 O4'
_chemical_formula_sum            'C8 H11 N3 O4'
_chemical_formula_weight         213.20
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.687(14)
_cell_angle_beta                 96.857(13)
_cell_angle_gamma                95.235(14)
_cell_formula_units_Z            2
_cell_length_a                   6.3241(7)
_cell_length_b                   6.4956(8)
_cell_length_c                   12.4132(15)
_cell_measurement_temperature    173(1)
_cell_volume                     502.70(11)
_diffrn_ambient_temperature      173(1)
_exptl_crystal_density_diffrn    1.408
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               4021284
Novel Synthesis and Oxidizing Ability of Tropylium Ions Annulated with Two 2,4-Dimethylfuro[2,3-d]pyrimidine-1(2H),3(4H)-diones
Shin-ichi Naya; Takeshi Tokunaka; Makoto Nitta; Journal of Organic Chemistry 69 (2004) 4732–4740; doi:10.1021/jo049668c

data_4021285
_publ_section_title
;
 Novel Synthesis and Oxidizing Ability of Tropylium Ions
 Annulated with Two 2,4-Dimethylfuro[2,3-d]pyrimidine-1(2H),3(4H)-diones
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4732
_journal_page_last               4740
_journal_paper_doi               10.1021/jo049668c
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C19 H15 B F4 N4 O6 '
_chemical_formula_sum            'C19 H15 B F4 N4 O6'
_chemical_formula_weight         482.15
_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                 106.81(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.449(7)
_cell_length_b                   12.835(9)
_cell_length_c                   15.053(7)
_cell_measurement_temperature    123.1
_cell_volume                     1932.6(2)
_exptl_crystal_density_diffrn    1.657
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4021285