LMucko/crystallography-open-database huggingface dataset:
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_4021286
_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                 110.548(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.6151(5)
_cell_length_b                   8.0000(3)
_cell_length_c                   18.7774(7)
_cell_measurement_temperature    93.1
_cell_volume                     1915.1(1)
_exptl_crystal_density_diffrn    0.836
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4021286
Selenoimidoylation of Alcohols with Selenium and Isocyanides and Its Application to the Synthesis of Selenium-Containing Heterocycles
Yoshiaki Asanuma; Shin-ichi Fujiwara; Tsutomu Shin-ike; Nobuaki Kambe; Journal of Organic Chemistry 69 (2004) 4845–4848; doi:10.1021/jo0496704

data_4021287
_publ_section_title
;
 Selenoimidoylation of Alcohols with Selenium
 and Isocyanides and Its Application to the Synthesis
 of Selenium-Containing Heterocycles
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4845
_journal_page_last               4848
_journal_paper_doi               10.1021/jo0496704
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C18 H17 N O Se '
_chemical_formula_sum            'C18 H17 N O Se'
_chemical_formula_weight         342.30
_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                 102.063(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.9473(4)
_cell_length_b                   7.4923(4)
_cell_length_c                   16.760(1)
_cell_measurement_temperature    296.2
_cell_volume                     1589.9(1)
_exptl_crystal_density_diffrn    1.430
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C18 H17 N O Se '
_cod_database_code               4021287
A New Fullerene Complexation Ligand: N-Pyridylfulleropyrrolidine
Fatma T. Tat; Zhiguo Zhou; Shaun MacMahon; Fayi Song; Arnold L. Rheingold; Luis Echegoyen; David I. Schuster; Stephen R. Wilson; Journal of Organic Chemistry 69 (2004) 4602–4606; doi:10.1021/jo049671w

data_4021288
_publ_section_title
;
 A New Fullerene Complexation Ligand: N-Pyridylfulleropyrrolidine
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4602
_journal_page_last               4606
_journal_paper_doi               10.1021/jo049671w
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C117 H42 N6 Zn'
_chemical_formula_weight         1596.94
_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                 90.1780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.7939(14)
_cell_length_b                   20.8707(17)
_cell_length_c                   20.5047(16)
_cell_measurement_temperature    150(2)
_cell_volume                     7614.8(10)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.393
_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               4021288
Regio- and Stereospecific Syntheses of syn- and anti-1,2-Imidazolylpropylamines from the Reaction of 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols
Mark J. Mulvihill; Cara Cesario; Vanessa Smith; Patricia Beck; Anthony Nigro; Journal of Organic Chemistry 69 (2004) 5124–5127; doi:10.1021/jo049677l

data_4021289
_publ_section_title
;
 Regio- and Stereospecific Syntheses of syn- and
 anti-1,2-Imidazolylpropylamines from the Reaction of
 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5124
_journal_page_last               5127
_journal_paper_doi               10.1021/jo049677l
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C14 H19 N3'
_chemical_formula_weight         229.32
_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                 95.691(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.908(4)
_cell_length_b                   5.891(3)
_cell_length_c                   14.029(7)
_cell_measurement_temperature    173(2)
_cell_volume                     650.2(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.171
_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               4021289
Regio- and Stereospecific Syntheses of syn- and anti-1,2-Imidazolylpropylamines from the Reaction of 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols
Mark J. Mulvihill; Cara Cesario; Vanessa Smith; Patricia Beck; Anthony Nigro; Journal of Organic Chemistry 69 (2004) 5124–5127; doi:10.1021/jo049677l

data_4021290
_publ_section_title
;
 Regio- and Stereospecific Syntheses of syn- and
 anti-1,2-Imidazolylpropylamines from the Reaction of
 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5124
_journal_page_last               5127
_journal_paper_doi               10.1021/jo049677l
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C14 H19 N3'
_chemical_formula_weight         229.32
_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                   9.051(3)
_cell_length_b                   10.214(3)
_cell_length_c                   14.481(4)
_cell_measurement_temperature    173(2)
_cell_volume                     1338.8(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.138
_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               4021290
Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer
Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno; Journal of Organic Chemistry 69 (2004) 4997–5004; doi:10.1021/jo0496953

data_4021291
_publ_section_title
;
 Diastereoselective Protonation on Radical Anions of Electron-Deficient
 Alkenes via Photoinduced Electron Transfer
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4997
_journal_page_last               5004
_journal_paper_doi               10.1021/jo0496953
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C13 H20 N2 '
_chemical_formula_sum            'C13 H20 N2'
_chemical_formula_weight         204.31
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.712(6)
_cell_angle_beta                 99.04(1)
_cell_angle_gamma                104.228(5)
_cell_formula_units_Z            4
_cell_length_a                   8.3392(3)
_cell_length_b                   11.6677(4)
_cell_length_c                   15.175(2)
_cell_measurement_temperature    296.1
_cell_volume                     1353.5(2)
_exptl_crystal_density_diffrn    1.003
_cod_database_code               4021291
Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer
Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno; Journal of Organic Chemistry 69 (2004) 4997–5004; doi:10.1021/jo0496953

data_4021292
_publ_section_title
;
 Diastereoselective Protonation on Radical Anions of Electron-Deficient
 Alkenes via Photoinduced Electron Transfer
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4997
_journal_page_last               5004
_journal_paper_doi               10.1021/jo0496953
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C17 H20 N2 '
_chemical_formula_sum            'C17 H20 N2'
_chemical_formula_weight         252.36
_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                   10.6730(5)
_cell_length_b                   10.9928(7)
_cell_length_c                   12.8104(9)
_cell_measurement_temperature    296.1
_cell_volume                     1503.0(2)
_exptl_crystal_density_diffrn    1.115
_cod_database_code               4021292
Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer
Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno; Journal of Organic Chemistry 69 (2004) 4997–5004; doi:10.1021/jo0496953

data_4021293
_publ_section_title
;
 Diastereoselective Protonation on Radical Anions of Electron-Deficient
 Alkenes via Photoinduced Electron Transfer
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4997
_journal_page_last               5004
_journal_paper_doi               10.1021/jo0496953
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C17 H18 N2'
_chemical_formula_sum            'C17 H18 N2'
_chemical_formula_weight         250.34
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                89
_cell_angle_beta                 89
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.61(2)
_cell_length_b                   9.93(1)
_cell_length_c                   8.376(9)
_cell_measurement_temperature    296.1
_cell_volume                     1463(2)
_exptl_crystal_density_diffrn    1.136
_cod_database_code               4021293
Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer
Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno; Journal of Organic Chemistry 69 (2004) 4997–5004; doi:10.1021/jo0496953

data_4021294
_publ_section_title
;
 Diastereoselective Protonation on Radical Anions of Electron-Deficient
 Alkenes via Photoinduced Electron Transfer
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4997
_journal_page_last               5004
_journal_paper_doi               10.1021/jo0496953
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C20 H24 N2'
_chemical_formula_sum            'C20 H24 N2'
_chemical_formula_weight         292.42
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'C 1'
_space_group_name_H-M_alt        'C 1'
_cell_angle_alpha                92.734(3)
_cell_angle_beta                 112.610(2)
_cell_angle_gamma                114.056(3)
_cell_formula_units_Z            4
_cell_length_a                   11.7618(7)
_cell_length_b                   13.1850(8)
_cell_length_c                   13.7331(8)
_cell_measurement_temperature    296.1
_cell_volume                     1741.7(2)
_exptl_crystal_density_diffrn    1.115
_cod_database_code               4021294
Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer
Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno; Journal of Organic Chemistry 69 (2004) 4997–5004; doi:10.1021/jo0496953

data_4021295
_publ_section_title
;
 Diastereoselective Protonation on Radical Anions of Electron-Deficient
 Alkenes via Photoinduced Electron Transfer
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4997
_journal_page_last               5004
_journal_paper_doi               10.1021/jo0496953
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C20 H26 N2'
_chemical_formula_sum            'C20 H26 N2'
_chemical_formula_weight         294.44
_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                 110.457(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.7104(3)
_cell_length_b                   6.4424(1)
_cell_length_c                   17.8094(4)
_cell_measurement_temperature    296.1
_cell_volume                     1796.36(6)
_exptl_crystal_density_diffrn    1.089
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4021295
Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer
Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno; Journal of Organic Chemistry 69 (2004) 4997–5004; doi:10.1021/jo0496953

data_4021296
_publ_section_title
;
 Diastereoselective Protonation on Radical Anions of Electron-Deficient
 Alkenes via Photoinduced Electron Transfer
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4997
_journal_page_last               5004
_journal_paper_doi               10.1021/jo0496953
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C19 H24 N2'
_chemical_formula_sum            'C19 H24 N2'
_chemical_formula_weight         280.41
_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
_cell_angle_beta                 97.655(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   35.436(3)
_cell_length_b                   6.3489(5)
_cell_length_c                   15.747(1)
_cell_measurement_temperature    296.1
_cell_volume                     3511.3(5)
_exptl_crystal_density_diffrn    1.061
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4021296
New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam
Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch; Journal of Organic Chemistry 69 (2004) 4227–4237; doi:10.1021/jo049706s

data_4021297
_publ_section_title
;
 New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology.
 Facile Access to New Chiral Tricyclic Thiolactam
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4227
_journal_page_last               4237
_journal_paper_doi               10.1021/jo049706s
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C17 H18 N2 O3 S2'
_chemical_formula_weight         362.45
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 110.927(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1094(16)
_cell_length_b                   14.200(2)
_cell_length_c                   11.8055(16)
_cell_measurement_temperature    298(2)
_cell_volume                     1739.5(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.384
_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               4021297
New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam
Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch; Journal of Organic Chemistry 69 (2004) 4227–4237; doi:10.1021/jo049706s

data_4021298
_publ_section_title
;
 New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology.
 Facile Access to New Chiral Tricyclic Thiolactam
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4227
_journal_page_last               4237
_journal_paper_doi               10.1021/jo049706s
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C22 H28 N2 O6 S2'
_chemical_formula_weight         480.58
_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                   12.7667(11)
_cell_length_b                   13.2331(10)
_cell_length_c                   14.2089(11)
_cell_measurement_temperature    298(2)
_cell_volume                     2400.5(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.330
_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               4021298
New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam
Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch; Journal of Organic Chemistry 69 (2004) 4227–4237; doi:10.1021/jo049706s

data_4021299
_publ_section_title
;
 New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology.
 Facile Access to New Chiral Tricyclic Thiolactam
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4227
_journal_page_last               4237
_journal_paper_doi               10.1021/jo049706s
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C19 H24 N2 O4 S2'
_chemical_formula_weight         408.52
_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                 104.674(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.7577(12)
_cell_length_b                   7.8092(9)
_cell_length_c                   12.4883(15)
_cell_measurement_temperature    298(2)
_cell_volume                     1014.9(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.337
_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               4021299