LMucko/crystallography-open-database huggingface dataset:
Ring-Expanding Reaction of Cyclopropyl Amides with Triphenylphosphine and Carbon Tetrahalide
Yong-Hua Yang; Min Shi; Journal of Organic Chemistry 70 (2005) 8645–8648; doi:10.1021/jo0516988

data_4020664
_publ_section_title
;
 Ring-Expanding Reaction of Cyclopropyl Amides with
 Triphenylphosphine and Carbon Tetrahalide
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8645
_journal_page_last               8648
_journal_paper_doi               10.1021/jo0516988
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C12 H15 N O3'
_chemical_formula_weight         221.25
_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                98.452(2)
_cell_angle_beta                 101.450(2)
_cell_angle_gamma                114.134(2)
_cell_formula_units_Z            2
_cell_length_a                   8.4864(11)
_cell_length_b                   8.5814(11)
_cell_length_c                   8.6437(12)
_cell_measurement_temperature    293(2)
_cell_volume                     544.40(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.350
_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               4020664
Pentafluorophenyl Transfer: A New Group-Transfer Reaction in Organoborate Salts
Priyadarshine Hewavitharanage; Evgeny O. Danilov; Douglas C. Neckers; Journal of Organic Chemistry 70 (2005) 10653–10659; doi:10.1021/jo050695s

data_4020665
_publ_section_title
;
 Pentafluorophenyl Transfer: A New Group-Transfer Reaction
 in Organoborate Salts
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10653
_journal_page_last               10659
_journal_paper_doi               10.1021/jo050695s
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C28 H11 B F15 N O'
_chemical_formula_weight         673.19
_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            4
_cell_length_a                   15.5110(5)
_cell_length_b                   10.2182(3)
_cell_length_c                   16.1676(5)
_cell_measurement_temperature    140(1)
_cell_volume                     2562.48(14)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.745
_cod_database_code               4020665
Synthesis and Photochemical Properties of Stilbenophanes Tethered by Silyl Chains. Control of (2π+2π) Photocycloaddition, Cis-Trans Photoisomerization, and Photocyclization
Hajime Maeda; Ko-ichi Nishimura; Kazuhiko Mizuno; Minoru Yamaji; Juro Oshima; Seiji Tobita; Journal of Organic Chemistry 70 (2005) 9693–9701; doi:10.1021/jo050914+

data_4020666
_publ_section_title
;
 Synthesis and Photochemical Properties of Stilbenophanes
 Tethered by Silyl Chains. Control of (2\p+2\p)
 Photocycloaddition, Cis-Trans Photoisomerization,
 and Photocyclization
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9693
_journal_page_last               9701
_journal_paper_doi               10.1021/jo050914+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C56 H68 Si4 '
_chemical_formula_sum            'C56 H68 Si4'
_chemical_formula_weight         853.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.289(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.6318(6)
_cell_length_b                   18.6066(8)
_cell_length_c                   13.2326(7)
_cell_measurement_temperature    296.1
_cell_volume                     2649.9(2)
_exptl_crystal_density_diffrn    1.070
_cod_depositor_comments
;
 Changing the space group from 'P 1' to '-P 2yn' after consulting
 the original publication. All related space group information was
 changed accordingly.

 Antanas Vaitkus,
 2017-07-07
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C56 H68 Si4 '
_cod_database_code               4020666
Synthesis and Photochemical Properties of Stilbenophanes Tethered by Silyl Chains. Control of (2π+2π) Photocycloaddition, Cis-Trans Photoisomerization, and Photocyclization
Hajime Maeda; Ko-ichi Nishimura; Kazuhiko Mizuno; Minoru Yamaji; Juro Oshima; Seiji Tobita; Journal of Organic Chemistry 70 (2005) 9693–9701; doi:10.1021/jo050914+

data_4020667
_publ_section_title
;
 Synthesis and Photochemical Properties of Stilbenophanes
 Tethered by Silyl Chains. Control of (2\p+2\p)
 Photocycloaddition, Cis-Trans Photoisomerization,
 and Photocyclization
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9693
_journal_page_last               9701
_journal_paper_doi               10.1021/jo050914+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C56 H48 Si2 '
_chemical_formula_sum            'C56 H48 Si2'
_chemical_formula_weight         777.17
_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
_cell_angle_beta                 102.08(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.747(2)
_cell_length_b                   14.336(4)
_cell_length_c                   15.906(4)
_cell_measurement_temperature    296.1
_cell_volume                     2173.4(9)
_exptl_crystal_density_diffrn    1.187
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C56 H48 Si2 '
_cod_database_code               4020667
Synthesis, Structure, and X-Band (9.5 GHz) EPR Characterization of the New Series of pH-Sensitive Spin Probes: N,N-Disubstituted 4-Amino-2,2,5,5-tetramethyl-3-imidazoline 1-Oxyls
Maxim A. Voinov; Julya F. Polienko; Thomas Schanding; Andrey A. Bobko; Valery V. Khramtsov; Yury V. Gatilov; Tatyana V. Rybalova; Alex I. Smirnov; Igor A. Grigor'ev; Journal of Organic Chemistry 70 (2005) 9702–9711; doi:10.1021/jo0510890

data_4020673
_publ_section_title
;
 Synthesis, Structure, and X-Band (9.5 GHz) EPR Characterization
 of the New Series of pH-Sensitive Spin Probes: N,N-Disubstituted
 4-Amino-2,2,5,5-tetramethyl-3-imidazoline 1-Oxyls
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9702
_journal_page_last               9711
_journal_paper_doi               10.1021/jo0510890
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C16 H22 N3 O3'
_chemical_formula_sum            'C16 H22 N3 O3'
_chemical_formula_weight         304.37
_chemical_melting_point          360.0(10)
_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                 105.479(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.431(3)
_cell_length_b                   9.0482(13)
_cell_length_c                   11.2508(16)
_cell_measurement_temperature    296(2)
_cell_volume                     1710.1(4)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.182
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '359 - 361' was changed to
'360.0(10)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020673
Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto; Journal of Organic Chemistry 70 (2005) 9755–9763; doi:10.1021/jo051137g

data_4020674
_publ_section_title
;
 Crystalline-State Z,E-Photoisomerization of a Series of
 (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic
 Acid Dialkyl Esters. Chain Length Effects on
 the Crystal Structure and Photoreactivity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9755
_journal_page_last               9763
_journal_paper_doi               10.1021/jo051137g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C22 H20 O4'
_chemical_formula_weight         348.38
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.159(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.833(4)
_cell_length_b                   4.6775(11)
_cell_length_c                   12.142(3)
_cell_measurement_temperature    183(2)
_cell_volume                     885.1(4)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.307
_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               4020674
Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto; Journal of Organic Chemistry 70 (2005) 9755–9763; doi:10.1021/jo051137g

data_4020675
_publ_section_title
;
 Crystalline-State Z,E-Photoisomerization of a Series of
 (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic
 Acid Dialkyl Esters. Chain Length Effects on
 the Crystal Structure and Photoreactivity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9755
_journal_page_last               9763
_journal_paper_doi               10.1021/jo051137g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C24 H24 O4'
_chemical_formula_weight         376.43
_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                 97.519(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   35.281(4)
_cell_length_b                   4.6868(5)
_cell_length_c                   12.1021(13)
_cell_measurement_temperature    183(2)
_cell_volume                     1984.0(4)
_diffrn_ambient_temperature      183
_exptl_crystal_density_diffrn    1.260
_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               4020675
Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto; Journal of Organic Chemistry 70 (2005) 9755–9763; doi:10.1021/jo051137g

data_4020676
_publ_section_title
;
 Crystalline-State Z,E-Photoisomerization of a Series of
 (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic
 Acid Dialkyl Esters. Chain Length Effects on
 the Crystal Structure and Photoreactivity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9755
_journal_page_last               9763
_journal_paper_doi               10.1021/jo051137g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C26 H28 O4'
_chemical_formula_weight         404.48
_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                 94.459(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.630(3)
_cell_length_b                   4.6867(6)
_cell_length_c                   12.0309(16)
_cell_measurement_temperature    183(2)
_cell_volume                     1103.5(3)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.217
_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               4020676
Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto; Journal of Organic Chemistry 70 (2005) 9755–9763; doi:10.1021/jo051137g

data_4020677
_publ_section_title
;
 Crystalline-State Z,E-Photoisomerization of a Series of
 (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic
 Acid Dialkyl Esters. Chain Length Effects on
 the Crystal Structure and Photoreactivity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9755
_journal_page_last               9763
_journal_paper_doi               10.1021/jo051137g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C28 H32 O4'
_chemical_formula_weight         432.54
_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                 104.2240(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   44.904(4)
_cell_length_b                   4.6750(4)
_cell_length_c                   12.0495(10)
_cell_measurement_temperature    183(2)
_cell_volume                     2451.9(4)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.172
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4020677
Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto; Journal of Organic Chemistry 70 (2005) 9755–9763; doi:10.1021/jo051137g

data_4020678
_publ_section_title
;
 Crystalline-State Z,E-Photoisomerization of a Series of
 (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic
 Acid Dialkyl Esters. Chain Length Effects on
 the Crystal Structure and Photoreactivity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9755
_journal_page_last               9763
_journal_paper_doi               10.1021/jo051137g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C28 H32 O4'
_chemical_formula_weight         432.54
_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                 115.786(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7420(17)
_cell_length_b                   14.6337(19)
_cell_length_c                   13.1471(18)
_cell_measurement_temperature    183(2)
_cell_volume                     2380.6(5)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.207
_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               4020678
Revisiting a Classic Approach to the Aspidosperma Alkaloids: An Intramolecular Schmidt Reaction Mediated Synthesis of (+)-Aspidospermidine
Rajesh Iyengar; Klaas Schildknegt; Martha Morton; Jeffrey Aubé; Journal of Organic Chemistry 70 (2005) 10645–10652; doi:10.1021/jo051212n

data_4020679
_publ_section_title
;
 Revisiting a Classic Approach to the Aspidosperma Alkaloids:
 An Intramolecular Schmidt Reaction Mediated Synthesis
 of (+)-Aspidospermidine
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10645
_journal_page_last               10652
_journal_paper_doi               10.1021/jo051212n
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C18 H29 N O3'
_chemical_formula_sum            'C18 H29 N O3'
_chemical_formula_weight         307.42
_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                   10.354(2)
_cell_length_b                   11.028(2)
_cell_length_c                   14.928(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1704.5(5)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.198
_cod_database_code               4020679
Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols
Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire; Journal of Organic Chemistry 70 (2005) 9764–9770; doi:10.1021/jo051317q

data_4020680
_publ_section_title
;
 Adducts of Thianthrene- and Phenoxathiin Cation Radical
 Tetrafluoroborates to 1-Alkynes. Structures and Formation of
 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on
 Alumina Leading to \a-Ketoylides and \a-Ketols
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9764
_journal_page_last               9770
_journal_paper_doi               10.1021/jo051317q
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C32 H30 B2 F8 S4'
_chemical_formula_weight         716.42
_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                 94.117(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1624(11)
_cell_length_b                   15.3277(16)
_cell_length_c                   21.681(2)
_cell_measurement_temperature    298(2)
_cell_volume                     3368.4(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.413
_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               4020680
Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols
Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire; Journal of Organic Chemistry 70 (2005) 9764–9770; doi:10.1021/jo051317q

data_4020681
_publ_section_title
;
 Adducts of Thianthrene- and Phenoxathiin Cation Radical
 Tetrafluoroborates to 1-Alkynes. Structures and Formation of
 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on
 Alumina Leading to \a-Ketoylides and \a-Ketols
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9764
_journal_page_last               9770
_journal_paper_doi               10.1021/jo051317q
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C22 H25 B F4 S2'
_chemical_formula_weight         440.35
_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                 116.989(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.296(4)
_cell_length_b                   13.134(2)
_cell_length_c                   18.991(3)
_cell_measurement_temperature    273(2)
_cell_volume                     4511.1(14)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.297
_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               4020681