LMucko/crystallography-open-database huggingface dataset:
Structure du 8-chloro-11-(4-méthylpipérazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]-1,4-thiazépine
Dupont, L.; Dideberg, O.; Liégeois, J. F.; Delarge, J.; Acta Crystallographica Section C 48 (1992) 1851–1853; doi:10.1107/S0108270192001021

data_2000547
_publ_section_title
;Structure du
 8-chloro-11-(4-m\'ethylpip\'erazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]-1,4-thiaz\'epine
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1851
_journal_page_last               1853
_journal_paper_doi               10.1107/S0108270192001021
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H18 Cl N3 S'
_chemical_formula_weight         343.9
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.770(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.521(3)
_cell_length_b                   13.007(4)
_cell_length_c                   14.116(6)
_cell_volume                     1717.3(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.982
_exptl_crystal_density_diffrn    1.33
_exptl_crystal_F_000             720
_cod_data_source_file            pa0271.cif
_cod_data_source_block           pa0271a
_cod_original_cell_volume        1717.40(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 H18 Cl1 N3 S1'
_cod_database_code               2000547
Structure of xindongnin B
Wang, J.-L.; Zhang, L.-J.; Miao, F.-M.; Sun, H.-D.; Gong, Y.-H.; Acta Crystallographica Section C 48 (1992) 1853–1855; doi:10.1107/S0108270191013410

data_2000548
_publ_section_title
;
 Structure of xindongnin B
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1853
_journal_page_last               1855
_journal_paper_doi               10.1107/S0108270191013410
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C22 H32 O6'
_chemical_formula_weight         392.50
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.739(5)
_cell_length_b                   16.963(6)
_cell_length_c                   17.094(6)
_cell_volume                     1954.1(17)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5410
_exptl_absorpt_coefficient_mu    0.7431
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_F_000             848
_cod_data_source_file            ab0231.cif
_cod_data_source_block           ab0231a
_cod_original_cell_volume        1954.0(3)
_cod_database_code               2000548
Absolute configuration of ({-})-α-acetylmethadol hydrochloride
Flippen-Anderson, J. L.; George, C. F.; Acta Crystallographica Section C 48 (1992) 1855–1857; doi:10.1107/S0108270192001409

data_2000549
_publ_section_title
;
 Absolute configuration of ({-})-\a-acetylmethadol hydrochloride
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1855
_journal_page_last               1857
_journal_paper_doi               10.1107/S0108270192001409
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C23 H32 N1 O2,Cl1,H2 O1'
_chemical_formula_sum            'C23 H34 Cl N O3'
_chemical_formula_weight         407.9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.71(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.608(4)
_cell_length_b                   8.637(2)
_cell_length_c                   17.273(5)
_cell_volume                     2307.5(10)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.64
_exptl_crystal_density_diffrn    1.17
_exptl_crystal_F_000             880
_cod_data_source_file            hh0604.cif
_cod_data_source_block           hh0604_structure_1_of_1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-11-23
;
_cod_original_cell_volume        2307.40(10)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C23 H34 Cl1 N1 O3'
_cod_database_code               2000549
Structure of 3,6-diacetyl-8-benzoylantakyatriol
Baures, P. W.; Miski, M.; Eggleston, D. S.; Acta Crystallographica Section C 48 (1992) 1857–1859; doi:10.1107/S0108270192001598

data_2000550
_publ_section_title
;
 Structure of 3,6-diacetyl-8-benzoylantakyatriol
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1857
_journal_page_last               1859
_journal_paper_doi               10.1107/S0108270192001598
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C26 H34 O6'
_chemical_formula_weight         442.56
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.766(6)
_cell_length_b                   11.809(4)
_cell_length_c                   27.219(11)
_cell_volume                     2496(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.0772
_exptl_crystal_density_diffrn    1.177
_exptl_crystal_F_000             952
_cod_data_source_file            st0563.cif
_cod_data_source_block           st0563a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        2496.5(12)
_cod_database_code               2000550
Structure of 7-diethylamino-4-trifluoromethylcoumarin
Chinnakali, K.; Sivakumar, K.; Natarajan, S.; Acta Crystallographica Section C 48 (1992) 1859–1862; doi:10.1107/S0108270192000623

data_2000551
_publ_section_title
;
 Structure of 7-diethylamino-4-trifluoromethylcoumarin
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1859
_journal_page_last               1862
_journal_paper_doi               10.1107/S0108270192000623
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H14 F3 N O2'
_chemical_formula_weight         285.26
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                90.15(2)
_cell_angle_beta                 98.72(2)
_cell_angle_gamma                85.49(2)
_cell_formula_units_Z            8
_cell_length_a                   14.392(2)
_cell_length_b                   18.837(3)
_cell_length_c                   10.191(2)
_cell_volume                     2722.3(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.14
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_meas      1.405
_exptl_crystal_F_000             1184
_cod_data_source_file            mu0286.cif
_cod_data_source_block           mu0286a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_formula_sum        'C14 H14 F3 N1 O2'
_cod_database_code               2000551
Structure of 3-<i>tert</i>-butyl-1-[(4-chlorophenyl)sulfonyl]-1-methylurea
Ghosh, M.; Das, A. K.; Mazumdar, S. K.; Bocelli, G.; Acta Crystallographica Section C 48 (1992) 1862–1864; doi:10.1107/S0108270191014658

data_2000552
_publ_section_title
;
 Structure of
 3-<i>tert</i>-butyl-1-[(4-chlorophenyl)sulfonyl]-1-methylurea
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1862
_journal_page_last               1864
_journal_paper_doi               10.1107/S0108270191014658
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H17 Cl N2 O3 S'
_chemical_formula_weight         304.8
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.68(3)
_cell_angle_beta                 95.28(3)
_cell_angle_gamma                66.34(4)
_cell_formula_units_Z            4
_cell_length_a                   13.075(2)
_cell_length_b                   13.284(3)
_cell_length_c                   9.924(2)
_cell_volume                     1534.0(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    3.54
_exptl_crystal_density_diffrn    1.3197
_exptl_crystal_density_meas      1.33
_exptl_crystal_F_000             640
_cod_data_source_file            as0517.cif
_cod_data_source_block           as0517a
_cod_original_cell_volume        1534
_cod_original_formula_sum        'C12 H17 Cl1 N2 O3 S1'
_cod_database_code               2000552
Structure of corydaline
Ribár, B.; Lazar, D.; Radivojević, P.; Engel, P.; Gašić, O.; Kanyó, I.; Acta Crystallographica Section C 48 (1992) 1864–1866; doi:10.1107/S0108270192001951

data_2000553
_publ_section_title
;
 Structure of corydaline
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1864
_journal_page_last               1866
_journal_paper_doi               10.1107/S0108270192001951
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C22 H27 N O4'
_chemical_formula_weight         369.46
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.85(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.732(6)
_cell_length_b                   7.639(5)
_cell_length_c                   14.966(10)
_cell_volume                     993.1(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.079
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_F_000             396
_cod_data_source_file            ka0018.cif
_cod_data_source_block           ka0018a
_cod_original_cell_volume        993.0(10)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C22 H27 N1 O4'
_cod_database_code               2000553
Structure of <i>cis</i>,<i>cis</i>-4,6-diphenyl-2-(2-propenyl)-1,3-dioxa-2-phosphorinane 2-oxide
Hua, D. H.; Roche, D.; Bharathi, S. N.; Wu, X.; Robinson, P. D.; Acta Crystallographica Section C 48 (1992) 1866–1868; doi:10.1107/S0108270192002051

data_2000554
_publ_section_title
;
 Structure of
 <i>cis</i>,<i>cis</i>-4,6-diphenyl-2-(2-propenyl)-1,3-dioxa-2-phosphorinane
 2-oxide
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1866
_journal_page_last               1868
_journal_paper_doi               10.1107/S0108270192002051
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H19 O3 P'
_chemical_formula_weight         314.32
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.54(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.726(6)
_cell_length_b                   14.234(7)
_cell_length_c                   20.080(10)
_cell_volume                     1635(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.171
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_F_000             664
_cod_data_source_file            cr0403.cif
_cod_data_source_block           cr0403a
_cod_original_cell_volume        1635(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 H19 O3 P1'
_cod_database_code               2000554
Structure of a <i>p</i>-nitrobenzoyl praziquantel analogue
Toscano, R. A.; Rubio, M.; Cetina, R.; Pérez-Ibarra, B. M.; Acta Crystallographica Section C 48 (1992) 1868–1870; doi:10.1107/S0108270192001902

data_2000555
_publ_section_title
;
 Structure of a <i>p</i>-nitrobenzoyl praziquantel analogue
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1868
_journal_page_last               1870
_journal_paper_doi               10.1107/S0108270192001902
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H17 N3 O4'
_chemical_formula_weight         351.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.79(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.704(5)
_cell_length_b                   10.330(2)
_cell_length_c                   14.808(3)
_cell_volume                     3341.9(13)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.80
_exptl_crystal_density_diffrn    1.40
_exptl_crystal_F_000             1472
_cod_data_source_file            hh0582.cif
_cod_data_source_block           hh0582a
_cod_original_cell_volume        3341.9(6)
_cod_database_code               2000555
Structure of 10-acetyloxy-10-methyl-9(10<i>H</i>)-anthracenone
Lin, T.-Y.; Mao, Y.-L.; Chuo, C.-M.; Acta Crystallographica Section C 48 (1992) 1870–1872; doi:10.1107/S010827019200204X

data_2000556
_publ_section_title
;
 Structure of 10-acetyloxy-10-methyl-9(10<i>H</i>)-anthracenone
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1870
_journal_page_last               1872
_journal_paper_doi               10.1107/S010827019200204X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C17 H14 O3'
_chemical_formula_sum            'C17 H14 O3'
_chemical_formula_weight         266.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.094(16)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.9122(13)
_cell_length_b                   27.749(8)
_cell_length_c                   13.402(3)
_cell_volume                     2812.5(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_F_000             1119.87
_cod_data_source_file            cr0385.cif
_cod_data_source_block           cr0385a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000556
Structure of 8,10-diacetyl-2,4,6-trinitro-2,4,6,8,10-pentaazabicyclo[5.3.0]decane
Gilardi, R.; Flippen-Anderson, J. L.; George, C. F.; Acta Crystallographica Section C 48 (1992) 1872–1873; doi:10.1107/S0108270192001707

data_2000557
_publ_section_title
;
 Structure of
 8,10-diacetyl-2,4,6-trinitro-2,4,6,8,10-pentaazabicyclo[5.3.0]decane
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1872
_journal_page_last               1873
_journal_paper_doi               10.1107/S0108270192001707
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C9 H14 N8 O8'
_chemical_formula_weight         362.3
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1446(11)
_cell_length_b                   12.238(2)
_cell_length_c                   14.186(3)
_cell_volume                     1414.0(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.26
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_F_000             752
_cod_data_source_file            hh0608.cif
_cod_data_source_block           hh0608a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        1413.9(4)
_cod_database_code               2000557
Structure of 1,1-dibromo-2-phenylseleno-3-<i>p</i>-tolylcyclopropane
Zukerman-Schpector, J.; Castellano, E. E.; Comasseto, J. V.; Stefani, H. A.; Acta Crystallographica Section C 48 (1992) 1876–1878; doi:10.1107/S0108270192002427

data_2000559
_publ_section_title
;
 Structure of 1,1-dibromo-2-phenylseleno-3-<i>p</i>-tolylcyclopropane
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1876
_journal_page_last               1878
_journal_paper_doi               10.1107/S0108270192002427
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H14 Br2 Se'
_chemical_formula_weight         445.07
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.16(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.7550(10)
_cell_length_b                   11.221(2)
_cell_length_c                   21.770(2)
_cell_volume                     3107.6(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.472
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_F_000             1712
_cod_data_source_file            li0102.cif
_cod_data_source_block           li0102a
_cod_original_cell_volume        3107.0(10)
_cod_original_formula_sum        'C16 H14 Br2 Se1'
_cod_database_code               2000559
Structure of a chiral intermediate in the synthesis of (+)-19-epiajmalicine
Lynch, V. M.; Corbett, J. W.; Martin, S. F.; Davis, B. E.; Acta Crystallographica Section C 48 (1992) 1878–1880; doi:10.1107/S0108270192002336

data_2000560
_publ_section_title
;
 Structure of a chiral intermediate in the synthesis of
 (+)-19-epiajmalicine
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1878
_journal_page_last               1880
_journal_paper_doi               10.1107/S0108270192002336
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C22 H26 N2 O5'
_chemical_formula_weight         398.46
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.463(2)
_cell_length_b                   11.251(3)
_cell_length_c                   18.871(6)
_cell_volume                     2009.2(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.08762
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_F_000             848
_cod_data_source_file            st0565.cif
_cod_data_source_block           st0565a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_database_code               2000560
2-Menthyl (2-hydroxyphenyl)glycolate
Bocelli, G.; Cantoni, A.; Acta Crystallographica Section C 48 (1992) 1880–1881; doi:10.1107/S0108270192002324

data_2000561
_publ_section_title
;
 2-Menthyl (2-hydroxyphenyl)glycolate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1880
_journal_page_last               1881
_journal_paper_doi               10.1107/S0108270192002324
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H26 O4'
_chemical_formula_weight         306.40
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.62(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.686(2)
_cell_length_b                   5.874(2)
_cell_length_c                   11.030(3)
_cell_volume                     880.8(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.614
_exptl_crystal_density_diffrn    1.16
_exptl_crystal_F_000             332
_cod_data_source_file            pa0237.cif
_cod_data_source_block           pa0237a
_cod_original_cell_volume        880.8
_cod_database_code               2000561