LMucko/crystallography-open-database huggingface dataset:
Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters
Gui-Ling Zhao; Min Shi; Journal of Organic Chemistry 70 (2005) 9975–9984; doi:10.1021/jo051763d

data_4020735
_publ_section_title
;
 Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines
 with Activated Allenes and Alkynes in the Presence of
 Various Lewis Base Promoters
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9975
_journal_page_last               9984
_journal_paper_doi               10.1021/jo051763d
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C35 H36 N2 O7 S2'
_chemical_formula_weight         660.78
_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                 108.321(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5923(8)
_cell_length_b                   17.0433(12)
_cell_length_c                   17.9971(13)
_cell_measurement_temperature    293(2)
_cell_volume                     3375.5(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.300
_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               4020735
Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters
Gui-Ling Zhao; Min Shi; Journal of Organic Chemistry 70 (2005) 9975–9984; doi:10.1021/jo051763d

data_4020736
_publ_section_title
;
 Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines
 with Activated Allenes and Alkynes in the Presence of
 Various Lewis Base Promoters
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9975
_journal_page_last               9984
_journal_paper_doi               10.1021/jo051763d
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C32 H30 N2 O6 S2'
_chemical_formula_weight         602.70
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.245(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.3098(13)
_cell_length_b                   15.6606(13)
_cell_length_c                   12.3382(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2957.5(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.354
_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               4020736
Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters
Gui-Ling Zhao; Min Shi; Journal of Organic Chemistry 70 (2005) 9975–9984; doi:10.1021/jo051763d

data_4020737
_publ_section_title
;
 Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines
 with Activated Allenes and Alkynes in the Presence of
 Various Lewis Base Promoters
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9975
_journal_page_last               9984
_journal_paper_doi               10.1021/jo051763d
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C27 H25 N O4 S'
_chemical_formula_weight         459.54
_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                92.491(2)
_cell_angle_beta                 93.885(2)
_cell_angle_gamma                98.992(2)
_cell_formula_units_Z            4
_cell_length_a                   7.6675(8)
_cell_length_b                   13.8140(15)
_cell_length_c                   22.914(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2388.1(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.278
_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               4020737
Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters
Gui-Ling Zhao; Min Shi; Journal of Organic Chemistry 70 (2005) 9975–9984; doi:10.1021/jo051763d

data_4020738
_publ_section_title
;
 Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines
 with Activated Allenes and Alkynes in the Presence of
 Various Lewis Base Promoters
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9975
_journal_page_last               9984
_journal_paper_doi               10.1021/jo051763d
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C19 H18 F N O3 S'
_chemical_formula_weight         359.40
_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                 91.829(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.3576(9)
_cell_length_b                   8.9534(13)
_cell_length_c                   31.589(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1797.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.328
_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               4020738
Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters
Gui-Ling Zhao; Min Shi; Journal of Organic Chemistry 70 (2005) 9975–9984; doi:10.1021/jo051763d

data_4020739
_publ_section_title
;
 Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines
 with Activated Allenes and Alkynes in the Presence of
 Various Lewis Base Promoters
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9975
_journal_page_last               9984
_journal_paper_doi               10.1021/jo051763d
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C21 H22 N2 O6 S'
_chemical_formula_weight         430.47
_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                 117.564(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.5357(16)
_cell_length_b                   11.4427(9)
_cell_length_c                   20.5964(15)
_cell_measurement_temperature    293(2)
_cell_volume                     4290.5(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.333
_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               4020739
Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters
Gui-Ling Zhao; Min Shi; Journal of Organic Chemistry 70 (2005) 9975–9984; doi:10.1021/jo051763d

data_4020740
_publ_section_title
;
 Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines
 with Activated Allenes and Alkynes in the Presence of
 Various Lewis Base Promoters
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9975
_journal_page_last               9984
_journal_paper_doi               10.1021/jo051763d
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C20 H21 N O4 S'
_chemical_formula_weight         371.44
_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                 91.214(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0446(10)
_cell_length_b                   12.4582(12)
_cell_length_c                   14.1435(13)
_cell_measurement_temperature    293(2)
_cell_volume                     1945.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.268
_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               4020740
Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force
Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan; Journal of Organic Chemistry 70 (2005) 10067–10072; doi:10.1021/jo051768a

data_4020741
_publ_section_title
;
 Preorganizing Linear (Self-Complementary) Quadruple
 Hydrogen-Bonding Arrays Using Intramolecular
 Hydrogen Bonding as the Sole Force
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10067
_journal_page_last               10072
_journal_paper_doi               10.1021/jo051768a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         '2(C14 H20 N4 O3)'
_chemical_formula_sum            'C14 H20 N4 O3'
_chemical_formula_weight         292.34
_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                 103.5470(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.1570(4)
_cell_length_b                   10.0700(4)
_cell_length_c                   31.9910(13)
_cell_measurement_temperature    293(2)
_cell_volume                     3181.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.221
_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               4020741
Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force
Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan; Journal of Organic Chemistry 70 (2005) 10067–10072; doi:10.1021/jo051768a

data_4020742
_publ_section_title
;
 Preorganizing Linear (Self-Complementary) Quadruple
 Hydrogen-Bonding Arrays Using Intramolecular
 Hydrogen Bonding as the Sole Force
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10067
_journal_page_last               10072
_journal_paper_doi               10.1021/jo051768a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         2(C12H16N4O3)
_chemical_formula_sum            'C24 H32 N8 O6'
_chemical_formula_weight         528.58
_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                 101.265(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.528(4)
_cell_length_b                   10.072(2)
_cell_length_c                   24.147(5)
_cell_measurement_temperature    293(2)
_cell_volume                     5373.4(18)
_diffrn_ambient_temperature      293(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      'C 2/c'
_cod_database_code               4020742
Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force
Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan; Journal of Organic Chemistry 70 (2005) 10067–10072; doi:10.1021/jo051768a

data_4020743
_publ_section_title
;
 Preorganizing Linear (Self-Complementary) Quadruple
 Hydrogen-Bonding Arrays Using Intramolecular
 Hydrogen Bonding as the Sole Force
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10067
_journal_page_last               10072
_journal_paper_doi               10.1021/jo051768a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C11 H22 N4 O3'
_chemical_formula_sum            'C11 H22 N4 O3'
_chemical_formula_weight         258.33
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.742(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6506(15)
_cell_length_b                   15.1430(19)
_cell_length_c                   8.9226(11)
_cell_measurement_temperature    293(2)
_cell_volume                     1490.7(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.151
_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               4020743
Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force
Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan; Journal of Organic Chemistry 70 (2005) 10067–10072; doi:10.1021/jo051768a

data_4020744
_publ_section_title
;
 Preorganizing Linear (Self-Complementary) Quadruple
 Hydrogen-Bonding Arrays Using Intramolecular
 Hydrogen Bonding as the Sole Force
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10067
_journal_page_last               10072
_journal_paper_doi               10.1021/jo051768a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         '2[(C12 H17 N5 O3).0.5(C6H14)]'
_chemical_formula_sum            'C27 H41 N10 O6'
_chemical_formula_weight         601.70
_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                84.0590(10)
_cell_angle_beta                 78.7660(10)
_cell_angle_gamma                82.3000(10)
_cell_formula_units_Z            2
_cell_length_a                   9.4903(6)
_cell_length_b                   11.1867(7)
_cell_length_c                   16.2401(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1670.53(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.196
_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               4020744
Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force
Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan; Journal of Organic Chemistry 70 (2005) 10067–10072; doi:10.1021/jo051768a

data_4020745
_publ_section_title
;
 Preorganizing Linear (Self-Complementary) Quadruple
 Hydrogen-Bonding Arrays Using Intramolecular
 Hydrogen Bonding as the Sole Force
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10067
_journal_page_last               10072
_journal_paper_doi               10.1021/jo051768a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         '2(C16 H18 N4 O3 S)'
_chemical_formula_sum            'C16 H18 N4 O3 S'
_chemical_formula_weight         346.40
_chemical_melting_point          454.15
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.1850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.7330(8)
_cell_length_b                   11.6432(6)
_cell_length_c                   19.0192(10)
_cell_measurement_temperature    293(2)
_cell_volume                     3405.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.351
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '181 degree centigrade' was changed
to '454.15' - it was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4020745
Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force
Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan; Journal of Organic Chemistry 70 (2005) 10067–10072; doi:10.1021/jo051768a

data_4020746
_publ_section_title
;
 Preorganizing Linear (Self-Complementary) Quadruple
 Hydrogen-Bonding Arrays Using Intramolecular
 Hydrogen Bonding as the Sole Force
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10067
_journal_page_last               10072
_journal_paper_doi               10.1021/jo051768a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         '2(C21 H36 N4 O3 S)'
_chemical_formula_sum            'C42 H72 N8 O6 S2'
_chemical_formula_weight         849.20
_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                90.9410(10)
_cell_angle_beta                 94.7990(10)
_cell_angle_gamma                99.7730(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2504(6)
_cell_length_b                   13.3758(8)
_cell_length_c                   17.8220(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2398.5(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.176
_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               4020746
Single-Step Syntheses of 2-Amino-7-chlorothiazolo[5,4-d]pyrimidines: Intermediates for Bivalent Thiazolopyrimidines
Jian Liu; Raymond J. Patch; Carsten Schubert; Mark R. Player; Journal of Organic Chemistry 70 (2005) 10194–10197; doi:10.1021/jo0517702

data_4020747
_publ_section_title
;
 Single-Step Syntheses of 2-Amino-7-chlorothiazolo[5,4-d]pyrimidines:
 Intermediates for Bivalent Thiazolopyrimidines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10194
_journal_page_last               10197
_journal_paper_doi               10.1021/jo0517702
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C21 H21 N5 O3 S'
_chemical_formula_sum            'C21 H21 N5 O3 S'
_chemical_formula_weight         423.49
_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                 102.90(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.000(3)
_cell_length_b                   8.3100(17)
_cell_length_c                   15.240(3)
_cell_measurement_temperature    100
_cell_volume                     2098.6(7)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.340
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020747