LMucko/crystallography-open-database huggingface dataset:
Tandem Enyne Metathesis-Diels-Alder Reaction for Construction of Natural Product Frameworks
Marta Rosillo; Gema Domínguez; Luis Casarrubios; Ulises Amador; Javier Pérez-Castells; Journal of Organic Chemistry 69 (2004) 2084–2093; doi:10.1021/jo0356311

data_4020886
_publ_section_title
;
 Tandem Enyne Metathesis-Diels-Alder Reaction
 for Construction of Natural Product Frameworks
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2084
_journal_page_last               2093
_journal_paper_doi               10.1021/jo0356311
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C17 H15 N O4'
_chemical_formula_weight         297.30
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.238(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5270(10)
_cell_length_b                   12.1172(10)
_cell_length_c                   10.8220(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1372.3(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.439
_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               4020886
Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction
N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy; Journal of Organic Chemistry 69 (2004) 1880–1889; doi:10.1021/jo035634d

data_4020887
_publ_section_title
;
 Diverse Modes of Reactivity of Dialkyl Azodicarboxylates
 with P(III) Compounds: Synthesis, Structure,
 and Reactivity of Products Other than the Morrison-Brunn-Huisgen
 Intermediate in a Mitsunobu-Type Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1880
_journal_page_last               1889
_journal_paper_doi               10.1021/jo035634d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C32 H48 N3 O6 P S'
_chemical_formula_weight         633.76
_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                74.34(7)
_cell_angle_beta                 72.41(5)
_cell_angle_gamma                71.50(11)
_cell_formula_units_Z            2
_cell_length_a                   10.681(9)
_cell_length_b                   10.761(3)
_cell_length_c                   17.409(4)
_cell_measurement_temperature    298(2)
_cell_volume                     1775.1(16)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.186
_cod_database_code               4020887
Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction
N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy; Journal of Organic Chemistry 69 (2004) 1880–1889; doi:10.1021/jo035634d

data_4020888
_publ_section_title
;
 Diverse Modes of Reactivity of Dialkyl Azodicarboxylates
 with P(III) Compounds: Synthesis, Structure,
 and Reactivity of Products Other than the Morrison-Brunn-Huisgen
 Intermediate in a Mitsunobu-Type Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1880
_journal_page_last               1889
_journal_paper_doi               10.1021/jo035634d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C20 H42 Cl N5 O4 P2'
_chemical_formula_weight         513.98
_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                76.23(4)
_cell_angle_beta                 75.65(4)
_cell_angle_gamma                80.66(2)
_cell_formula_units_Z            4
_cell_length_a                   11.439(2)
_cell_length_b                   14.028(3)
_cell_length_c                   19.909(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2987.9(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.143
_cod_database_code               4020888
Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction
N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy; Journal of Organic Chemistry 69 (2004) 1880–1889; doi:10.1021/jo035634d

data_4020889
_publ_section_title
;
 Diverse Modes of Reactivity of Dialkyl Azodicarboxylates
 with P(III) Compounds: Synthesis, Structure,
 and Reactivity of Products Other than the Morrison-Brunn-Huisgen
 Intermediate in a Mitsunobu-Type Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1880
_journal_page_last               1889
_journal_paper_doi               10.1021/jo035634d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C22 H45 Cl F3 N5 O5 P2'
_chemical_formula_weight         614.02
_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                 109.54(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.2506(18)
_cell_length_b                   9.7929(16)
_cell_length_c                   18.982(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3197.2(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.276
_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               4020889
Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction
N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy; Journal of Organic Chemistry 69 (2004) 1880–1889; doi:10.1021/jo035634d

data_4020890
_publ_section_title
;
 Diverse Modes of Reactivity of Dialkyl Azodicarboxylates
 with P(III) Compounds: Synthesis, Structure,
 and Reactivity of Products Other than the Morrison-Brunn-Huisgen
 Intermediate in a Mitsunobu-Type Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1880
_journal_page_last               1889
_journal_paper_doi               10.1021/jo035634d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C31 H42 Cl2 N3 O7 P'
_chemical_formula_weight         670.55
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90.00(4)
_cell_angle_beta                 90.00(4)
_cell_angle_gamma                90.00(2)
_cell_formula_units_Z            8
_cell_length_a                   15.1196(18)
_cell_length_b                   17.9591(16)
_cell_length_c                   25.632(2)
_cell_measurement_temperature    293(2)
_cell_volume                     6959.9(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.280
_cod_database_code               4020890
Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction
N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy; Journal of Organic Chemistry 69 (2004) 1880–1889; doi:10.1021/jo035634d

data_4020891
_publ_section_title
;
 Diverse Modes of Reactivity of Dialkyl Azodicarboxylates
 with P(III) Compounds: Synthesis, Structure,
 and Reactivity of Products Other than the Morrison-Brunn-Huisgen
 Intermediate in a Mitsunobu-Type Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1880
_journal_page_last               1889
_journal_paper_doi               10.1021/jo035634d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C62.5 H70 N3 O9 P'
_chemical_formula_weight         1038.19
_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                63.7960(10)
_cell_angle_beta                 70.9040(10)
_cell_angle_gamma                79.2730(10)
_cell_formula_units_Z            2
_cell_length_a                   12.4123(7)
_cell_length_b                   16.2723(10)
_cell_length_c                   17.5862(10)
_cell_measurement_temperature    223(2)
_cell_volume                     3007.9(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.146
_cod_original_formula_sum        'C62.50 H70 N3 O9 P'
_cod_database_code               4020891
Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction
N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy; Journal of Organic Chemistry 69 (2004) 1880–1889; doi:10.1021/jo035634d

data_4020892
_publ_section_title
;
 Diverse Modes of Reactivity of Dialkyl Azodicarboxylates
 with P(III) Compounds: Synthesis, Structure,
 and Reactivity of Products Other than the Morrison-Brunn-Huisgen
 Intermediate in a Mitsunobu-Type Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1880
_journal_page_last               1889
_journal_paper_doi               10.1021/jo035634d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C97 H124 N6 O18 P2'
_chemical_formula_weight         1723.96
_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                80.273(2)
_cell_angle_beta                 86.782(2)
_cell_angle_gamma                73.459(2)
_cell_formula_units_Z            1
_cell_length_a                   9.6724(8)
_cell_length_b                   11.9518(10)
_cell_length_c                   22.0645(19)
_cell_measurement_temperature    298(2)
_cell_volume                     2409.9(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.188
_cod_database_code               4020892
Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction
N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy; Journal of Organic Chemistry 69 (2004) 1880–1889; doi:10.1021/jo035634d

data_4020893
_publ_section_title
;
 Diverse Modes of Reactivity of Dialkyl Azodicarboxylates
 with P(III) Compounds: Synthesis, Structure,
 and Reactivity of Products Other than the Morrison-Brunn-Huisgen
 Intermediate in a Mitsunobu-Type Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1880
_journal_page_last               1889
_journal_paper_doi               10.1021/jo035634d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C62 H88 N6 O12 P2'
_chemical_formula_weight         1171.32
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.216(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.050(2)
_cell_length_b                   10.0336(12)
_cell_length_c                   19.816(2)
_cell_measurement_temperature    296(2)
_cell_volume                     3387.5(7)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.148
_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 2/n'
_cod_database_code               4020893
Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction
N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy; Journal of Organic Chemistry 69 (2004) 1880–1889; doi:10.1021/jo035634d

data_4020894
_publ_section_title
;
 Diverse Modes of Reactivity of Dialkyl Azodicarboxylates
 with P(III) Compounds: Synthesis, Structure,
 and Reactivity of Products Other than the Morrison-Brunn-Huisgen
 Intermediate in a Mitsunobu-Type Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1880
_journal_page_last               1889
_journal_paper_doi               10.1021/jo035634d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C36 H47 N2 O7 P S'
_chemical_formula_weight         682.79
_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                 99.0500(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.7843(12)
_cell_length_b                   10.6218(6)
_cell_length_c                   16.7361(10)
_cell_measurement_temperature    298(2)
_cell_volume                     3648.8(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.243
_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               4020894
A Two-Directional Synthesis of (±)-Perhydrohistrionicotoxin
Robert A. Stockman; Alex Sinclair; Louise G. Arini; Peter Szeto; David L. Hughes; Journal of Organic Chemistry 69 (2004) 1598–1602; doi:10.1021/jo035639a

data_4020895
_publ_section_title
;
 A Two-Directional Synthesis of (+-)-Perhydrohistrionicotoxin
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1598
_journal_page_last               1602
_journal_paper_doi               10.1021/jo035639a
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C13 H17 N3 O'
_chemical_formula_structural     'histrionicotoxin dinitrile derivative I'
_chemical_formula_sum            'C13 H17 N3 O'
_chemical_formula_weight         231.30
_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                 97.24(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.563(3)
_cell_length_b                   9.938(2)
_cell_length_c                   7.943(2)
_cell_measurement_temperature    140(1)
_cell_volume                     1218.7(4)
_diffrn_ambient_temperature      140(1)
_exptl_crystal_density_diffrn    1.261
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4020895
A Two-Directional Synthesis of (±)-Perhydrohistrionicotoxin
Robert A. Stockman; Alex Sinclair; Louise G. Arini; Peter Szeto; David L. Hughes; Journal of Organic Chemistry 69 (2004) 1598–1602; doi:10.1021/jo035639a

data_4020896
_publ_section_title
;
 A Two-Directional Synthesis of (+-)-Perhydrohistrionicotoxin
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1598
_journal_page_last               1602
_journal_paper_doi               10.1021/jo035639a
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C13 H17 N3 O'
_chemical_formula_structural     'dinitrile histrionicotoxin derivative, II'
_chemical_formula_sum            'C13 H17 N3 O'
_chemical_formula_weight         231.30
_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                 98.44(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   28.183(6)
_cell_length_b                   9.3620(19)
_cell_length_c                   18.789(4)
_cell_measurement_temperature    140(1)
_cell_volume                     4903.7(17)
_diffrn_ambient_temperature      140(1)
_exptl_crystal_density_diffrn    1.253
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4020896
Synthesis and Conformational Studies of Dipeptides Constrained by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers
D. Srinivasa Reddy; David Vander Velde; Jeffrey Aubé; Journal of Organic Chemistry 69 (2004) 1716–1719; doi:10.1021/jo035683q

data_4020897
_publ_section_title
;
 Synthesis and Conformational Studies of Dipeptides Constrained
 by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1716
_journal_page_last               1719
_journal_paper_doi               10.1021/jo035683q
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C12 H21 N3 O4'
_chemical_formula_sum            'C12 H21 N3 O4'
_chemical_formula_weight         271.32
_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                 95.690(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.5856(10)
_cell_length_b                   14.540(3)
_cell_length_c                   10.520(2)
_cell_measurement_temperature    100(2)
_cell_volume                     698.0(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.291
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020897
Synthesis and Conformational Studies of Dipeptides Constrained by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers
D. Srinivasa Reddy; David Vander Velde; Jeffrey Aubé; Journal of Organic Chemistry 69 (2004) 1716–1719; doi:10.1021/jo035683q

data_4020898
_publ_section_title
;
 Synthesis and Conformational Studies of Dipeptides Constrained
 by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1716
_journal_page_last               1719
_journal_paper_doi               10.1021/jo035683q
_journal_volume                  69
_journal_year                    2004
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C12 H21 N3 O4'
_chemical_formula_sum            'C12 H21 N3 O4'
_chemical_formula_weight         271.32
_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                 107.214(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.394(3)
_cell_length_b                   14.776(4)
_cell_length_c                   10.445(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1384.9(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.301
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020898
Novel Fused D-A Dyad and A-D-A Triad Incorporating Tetrathiafulvalene and p-Benzoquinone
Frédéric Dumur; Nicolas Gautier; Nuria Gallego-Planas; Yücel Şahin; Eric Levillain; Nicolas Mercier; Piétrick Hudhomme; Matteo Masino; Alberto Girlando; Vega Lloveras; José Vidal-Gancedo; Jaume Veciana; Concepció Rovira; Journal of Organic Chemistry 69 (2004) 2164–2177; doi:10.1021/jo035689f

data_4020899
_publ_section_title
;
 Novel Fused D-A Dyad and A-D-A Triad Incorporating
 Tetrathiafulvalene and p-Benzoquinone
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2164
_journal_page_last               2177
_journal_paper_doi               10.1021/jo035689f
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C15 H16 Cl2 O4 S4'
_chemical_formula_sum            'C15 H6 Cl2 O4 S4'
_chemical_formula_weight         449.34
_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
_cell_angle_beta                 98.19(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.8290(10)
_cell_length_b                   10.355(2)
_cell_length_c                   14.429(3)
_cell_measurement_temperature    293(2)
_cell_volume                     862.0(3)
_exptl_crystal_density_diffrn    1.731
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020899