LMucko/crystallography-open-database huggingface dataset:
; New Journal of Chemistry 25 (2001) 408–415; doi:10.1039/b008262g

data_7051053
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              408
_journal_page_last               415
_journal_paper_doi               10.1039/b008262g
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C12 H14 N4 O5'
_chemical_formula_weight         294.27
_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                 97.10(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.586(2)
_cell_length_b                   16.547(2)
_cell_length_c                   10.856(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1352.3(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.445
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7051053
; New Journal of Chemistry 25 (2001) 408–415; doi:10.1039/b008262g

data_7051054
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              408
_journal_page_last               415
_journal_paper_doi               10.1039/b008262g
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C30 H34 N14 O6'
_chemical_formula_weight         686.71
_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                 90.530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2230(10)
_cell_length_b                   7.226(2)
_cell_length_c                   40.737(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3303.5(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.381
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7051054
; New Journal of Chemistry 25 (2001) 408–415; doi:10.1039/b008262g

data_7051055
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              408
_journal_page_last               415
_journal_paper_doi               10.1039/b008262g
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C11 H15 N5 O3'
_chemical_formula_weight         265.28
_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                91.28(2)
_cell_angle_beta                 109.460(10)
_cell_angle_gamma                94.01(2)
_cell_formula_units_Z            2
_cell_length_a                   7.2620(10)
_cell_length_b                   9.466(3)
_cell_length_c                   9.8390(10)
_cell_measurement_temperature    293(2)
_cell_volume                     635.4(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.387
_cod_database_code               7051055
; New Journal of Chemistry 25 (2001) 408–415; doi:10.1039/b008262g

data_7051056
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              408
_journal_page_last               415
_journal_paper_doi               10.1039/b008262g
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C17 H20 N6 O7'
_chemical_formula_weight         420.39
_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                107.720(10)
_cell_angle_beta                 109.660(10)
_cell_angle_gamma                66.160(10)
_cell_formula_units_Z            2
_cell_length_a                   10.111(2)
_cell_length_b                   11.747(2)
_cell_length_c                   9.369(2)
_cell_measurement_temperature    293(2)
_cell_volume                     940.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.485
_cod_database_code               7051056
; New Journal of Chemistry 25 (2001) 479–482; doi:10.1039/b008383f

data_7051062
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              479
_journal_page_last               482
_journal_paper_doi               10.1039/b008383f
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C30 H32 Ag2 N12 O13'
_chemical_formula_weight         984.42
_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                71.592(2)
_cell_angle_beta                 76.372(2)
_cell_angle_gamma                88.482(2)
_cell_formula_units_Z            2
_cell_length_a                   8.9218(11)
_cell_length_b                   11.9058(14)
_cell_length_c                   18.795(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1838.4(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.778
_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               7051062
; New Journal of Chemistry 25 (2001) 479–482; doi:10.1039/b008383f

data_7051063
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              479
_journal_page_last               482
_journal_paper_doi               10.1039/b008383f
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C11 H8 Ag N5 O6'
_chemical_formula_weight         414.09
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.79(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.038(6)
_cell_length_b                   6.373(3)
_cell_length_c                   23.946(16)
_cell_measurement_temperature    293(2)
_cell_volume                     1354.9(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.030
_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               7051063
PX3-induced migratory insertion reactions of half-sandwich-type carbenerhodium(I) complexes
Herber, Ulrich; Guerrero Sanchez, Rita; Gevert, Olaf; Laubender, Matthias; Werner, Helmut; New Journal of Chemistry 25 (2001) 396–; doi:10.1039/b008601k

data_7051074
_publ_contact_author
;
        Prof. Dr. Helmut Werner
        Institut f\"ur Anorganische Chemie
        Universit\"at W\"urzburg
        Am Hubland
        D-97074 W\"urzburg
        Deutschland
;
_publ_section_title
;
 PX3-induced migratory insertion reactions of half-sandwich-type
 carbenerhodium(I) complexes
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              396
_journal_paper_doi               10.1039/b008601k
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C27 H36 F3 P2 Rh'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             1999-01-07
_audit_creation_method           CSD-ConQuest-V1
_cell_angle_alpha                90
_cell_angle_beta                 96.82(9)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.48(9)
_cell_length_b                   8.96(2)
_cell_length_c                   17.67(3)
_cell_volume                     5420(2)
_cod_data_source_file            b008601k.txt
_cod_data_source_block           CSD_CIF_PULRIX
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C27 H36 F3 P2 Rh1'
_cod_database_code               7051074
Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene
Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.; New Journal of Chemistry  (2001) –; doi:

data_7051076
_publ_section_title
;
Structural characterisation of metal complexes containing
1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C26 H25 Cu N3 O6 S2'
_chemical_formula_weight         603.15
_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                77.7390(3)
_cell_angle_beta                 78.8870(3)
_cell_angle_gamma                75.0160(5)
_cell_formula_units_Z            2
_cell_length_a                   8.949(3)
_cell_length_b                   11.071(4)
_cell_length_c                   14.162(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1310.3(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.529
_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               7051076
Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene
Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.; New Journal of Chemistry  (2001) –; doi:

data_7051077
_publ_section_title
;
Structural characterisation of metal complexes containing
1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C26 H25 N3 O6 S2 Zn'
_chemical_formula_weight         604.98
_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                101.6840(3)
_cell_angle_beta                 103.9560(3)
_cell_angle_gamma                105.5400(5)
_cell_formula_units_Z            2
_cell_length_a                   9.330(2)
_cell_length_b                   10.721(4)
_cell_length_c                   14.634(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1311.7(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.532
_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               7051077
Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene
Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.; New Journal of Chemistry  (2001) –; doi:

data_7051078
_publ_section_title
;
Structural characterisation of metal complexes containing
1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C38 H32 Co N6 O4 S2'
_chemical_formula_weight         759.75
_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                 103.235(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.780(2)
_cell_length_b                   15.226(3)
_cell_length_c                   11.158(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1782.9(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.415
_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               7051078
Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene
Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.; New Journal of Chemistry  (2001) –; doi:

data_7051079
_publ_section_title
;
Structural characterisation of metal complexes containing
1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C57 H48 Cu1.5 N9 O6 S3'
_chemical_formula_weight         1146.53
_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                 112.8850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.6482(4)
_cell_length_b                   14.7187(2)
_cell_length_c                   17.70550(10)
_cell_measurement_temperature    293(2)
_cell_volume                     10239.37(18)
_diffrn_ambient_temperature      293(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_original_formula_sum        'C57 H48 Cu1.50 N9 O6 S3'
_cod_database_code               7051079
Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene
Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.; New Journal of Chemistry  (2001) –; doi:

data_7051080
_publ_section_title
;
Structural characterisation of metal complexes containing
1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C42 H38 N8 O4 S2 Zn'
_chemical_formula_weight         848.29
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.446(18)
_cell_angle_beta                 92.76(2)
_cell_angle_gamma                95.033(12)
_cell_formula_units_Z            2
_cell_length_a                   11.372(2)
_cell_length_b                   11.7922(13)
_cell_length_c                   14.668(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1934.4(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.456
_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               7051080
Veneta Videnova-Adrabinska; El¿bieta Janeczko; Teresa Borowiak; Grzegorz Dutkiewicz; New Journal of Chemistry 25 (2001) 1403–1409; doi:10.1039/b009197i

data_7051083
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1403
_journal_page_last               1409
_journal_paper_doi               10.1039/b009197i
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C8 H11 N3 O5 S'
_chemical_formula_weight         261.26
_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                 92.98(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.701(2)
_cell_length_b                   30.779(6)
_cell_length_c                   9.425(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2231.0(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.556
_refine_ls_R_factor_obs          0.0512
_refine_ls_wR_factor_obs         0.1346
_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               7051083
Veneta Videnova-Adrabinska; El¿bieta Janeczko; Teresa Borowiak; Grzegorz Dutkiewicz; New Journal of Chemistry 25 (2001) 1403–1409; doi:10.1039/b009197i

data_7051084
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1403
_journal_page_last               1409
_journal_paper_doi               10.1039/b009197i
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C8 H11 N3 O5 S'
_chemical_formula_weight         261.26
_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                 103.38(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.626(2)
_cell_length_b                   15.597(3)
_cell_length_c                   7.1820(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1158.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.499
_refine_ls_R_factor_obs          0.0428
_refine_ls_wR_factor_obs         0.1180
_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               7051084
Wojciech Wasikiewicz; Michal Slaski; Gabriel Rokicki; V. Boehmer; Ch. Schmidt; E. F. Paulus; New Journal of Chemistry 25 (2001) 581–587; doi:10.1039/b009260f

data_7051085
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              581
_journal_page_last               587
_journal_paper_doi               10.1039/b009260f
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         'C54H63NO11 x HCl3'
_chemical_formula_sum            'C55 H64 Cl3 N O11'
_chemical_formula_weight         1021.42
_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                64.67(1)
_cell_angle_beta                 84.612(1)
_cell_angle_gamma                68.296(1)
_cell_formula_units_Z            2
_cell_length_a                   13.617(1)
_cell_length_b                   14.569(1)
_cell_length_c                   16.280(1)
_cell_measurement_temperature    293(2)
_cell_volume                     2704.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.254
_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               7051085
Medium-sized cyclophanes. Part 56 5-tert-Butyl-8-substituted [2.2]metaparacyclophane-1,9-dienes. Preparation, X-ray diffraction studies, and their treatment with Lewis acid and protic acid
Yamato, Takehiko; Noda Kozo; Tsuzuki, Hirohisa; New Journal of Chemistry  (2001) –; doi:

data_7051096
_publ_section_title
;
Medium-sized cyclophanes. Part 56
5-tert-Butyl-8-substituted [2.2]metaparacyclophane-1,9-dienes.
Preparation, X-ray diffraction studies, and their treatment
with Lewis acid and protic acid
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C21 H19 N'
_chemical_formula_weight         285.39
_chemical_name_common
5-tert-butyl-8-cyanometaparacyclophane-1,9-diene
_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            8
_cell_length_a                   15.684(2)
_cell_length_b                   18.7370(10)
_cell_length_c                   11.044(3)
_cell_measurement_temperature    296(2)
_cell_volume                     3245.5(10)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.168
_cod_original_formula_sum        'C21 H19 N1'
_cod_database_code               7051096