LMucko/crystallography-open-database huggingface dataset:
Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams
Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea; Journal of Organic Chemistry 69 (2004) 3025–3035; doi:10.1021/jo049897z

data_4020980
_publ_section_title
;
 Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction:
 Scope and Application to the Synthesis of Medium Ring Lactams
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3025
_journal_page_last               3035
_journal_paper_doi               10.1021/jo049897z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C10 H15 N O2'
_chemical_formula_weight         181.23
_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                 109.4940(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6734(6)
_cell_length_b                   5.9670(3)
_cell_length_c                   11.9961(5)
_cell_measurement_temperature    163(2)
_cell_volume                     922.65(7)
_diffrn_ambient_temperature      163(2)
_exptl_crystal_density_diffrn    1.305
_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               4020980
Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams
Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea; Journal of Organic Chemistry 69 (2004) 3025–3035; doi:10.1021/jo049897z

data_4020981
_publ_section_title
;
 Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction:
 Scope and Application to the Synthesis of Medium Ring Lactams
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3025
_journal_page_last               3035
_journal_paper_doi               10.1021/jo049897z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C15 H27 N O3 Si'
_chemical_formula_weight         297.47
_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                 97.043(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.834(7)
_cell_length_b                   6.234(2)
_cell_length_c                   11.698(4)
_cell_measurement_temperature    163(2)
_cell_volume                     1652.4(9)
_diffrn_ambient_temperature      163(2)
_exptl_crystal_density_diffrn    1.196
_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               4020981
Binding of Acetylcholine and Tetramethylammonium to Flexible Cyclophane Receptors: Improving on Binding Ability by Optimizing Host's Geometry
Paolo Sarri; Francesca Venturi; Francesco Cuda; Stefano Roelens; Journal of Organic Chemistry 69 (2004) 3654–3661; doi:10.1021/jo049899j

data_4020982
_publ_section_title
;
 Binding of Acetylcholine and Tetramethylammonium
 to Flexible Cyclophane Receptors: Improving
 on Binding Ability by Optimizing Host's Geometry
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3654
_journal_page_last               3661
_journal_paper_doi               10.1021/jo049899j
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         '(c32 h32 o4)'
_chemical_formula_sum            'C32 H32 O4'
_chemical_formula_weight         480.58
_chemical_melting_point          139.8(3)
_chemical_name_common            2,11,20,29-tetraoxa[3.3.3.3]paracyclophane
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.425(5)
_cell_length_b                   13.235(5)
_cell_length_c                   23.159(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2582.3(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.236
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '139.5-140' was changed to '139.8(3)'
- 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_database_code               4020982
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020983
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C24 H19 N3'
_chemical_formula_weight         349.42
_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                 107.079(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.844(8)
_cell_length_b                   10.469(4)
_cell_length_c                   18.159(7)
_cell_measurement_temperature    295(2)
_cell_volume                     3788(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.225
_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               4020983
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020984
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C25 H18 N4'
_chemical_formula_weight         374.43
_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                 97.587(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.8941(11)
_cell_length_b                   18.3144(13)
_cell_length_c                   14.9160(11)
_cell_measurement_temperature    295(2)
_cell_volume                     4033.1(5)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.233
_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               4020984
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020985
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C26 H24 N4'
_chemical_formula_weight         392.49
_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                 102.251(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   47.622(3)
_cell_length_b                   10.0831(6)
_cell_length_c                   18.4233(11)
_cell_measurement_temperature    294(2)
_cell_volume                     8644.9(9)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.206
_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               4020985
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020986
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C16 H13 N3'
_chemical_formula_weight         247.29
_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                 93.676(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.1659(10)
_cell_length_b                   9.7632(11)
_cell_length_c                   29.021(3)
_cell_measurement_temperature    295(2)
_cell_volume                     2591.7(5)
_diffrn_ambient_temperature      295(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/c'
_cod_database_code               4020986
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020987
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C17 H12 N4'
_chemical_formula_weight         272.31
_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                 95.420(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.169(3)
_cell_length_b                   11.465(3)
_cell_length_c                   10.149(3)
_cell_measurement_temperature    294(2)
_cell_volume                     1409.7(6)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.283
_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               4020987
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020988
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C17 H15 N3 O'
_chemical_formula_weight         277.32
_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                 100.231(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.9797(10)
_cell_length_b                   9.7445(6)
_cell_length_c                   19.0030(12)
_cell_measurement_temperature    294(2)
_cell_volume                     2912.0(3)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.265
_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               4020988
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020989
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C24 H19 Cl2 N3 Zn'
_chemical_formula_weight         485.69
_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                 110.3050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.5713(15)
_cell_length_b                   9.4419(6)
_cell_length_c                   21.7120(14)
_cell_measurement_temperature    295(2)
_cell_volume                     4339.6(5)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.487
_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               4020989
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020990
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C25 H18 Cl2 N4 Zn'
_chemical_formula_weight         510.70
_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                 91.129(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.1979(10)
_cell_length_b                   8.4141(9)
_cell_length_c                   14.9124(16)
_cell_measurement_temperature    296(2)
_cell_volume                     1153.9(2)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.470
_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               4020990
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020991
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C26 H24 Cl2 N4 Zn'
_chemical_formula_weight         528.76
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.339(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8864(8)
_cell_length_b                   8.7082(8)
_cell_length_c                   15.6555(14)
_cell_measurement_temperature    294(2)
_cell_volume                     1211.16(19)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.450
_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               4020991
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020992
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C16 H13 Cl2 N3 Zn'
_chemical_formula_weight         383.56
_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                 90.122(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4276(7)
_cell_length_b                   9.5814(8)
_cell_length_c                   20.2177(16)
_cell_measurement_temperature    293(2)
_cell_volume                     1632.5(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.561
_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               4020992