LMucko/crystallography-open-database huggingface dataset:
Structure of bis(benzenesulfonato-<i>O</i>)tetrakis(pyridine-<i>N</i>)copper(II)
Jedrzejas, M. J.; Towns, R. L. R.; Baker, R. J.; Duraj, S. A.; Hepp, A. F.; Acta Crystallographica Section C 49 (1993) 538–540; doi:10.1107/S0108270192006280

data_2001883
_publ_section_title
;
 Structure of
 bis(benzenesulfonato-<i>O</i>)tetrakis(pyridine-<i>N</i>)copper(II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              538
_journal_page_last               540
_journal_paper_doi               10.1107/S0108270192006280
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C32 H30 Cu N4 O6 S2'
_chemical_formula_weight         694.29
_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                 96.38(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.180(6)
_cell_length_b                   14.431(5)
_cell_length_c                   15.269(6)
_cell_volume                     3324(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.4576
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_F_000             1436
_cod_data_source_file            sp1001.cif
_cod_data_source_block           sp1001_structure_1_of_1
_cod_original_formula_sum        'C32 H30 Cu1 N4 O6 S2'
_cod_database_code               2001883
Structure of an allotropic form of [bis(trimethylsilyl)amido]dichloro(η^5^-cyclopentadienyl)titanium
Laurent, F.; Legros, J.-P.; Acta Crystallographica Section C 49 (1993) 540–542; doi:10.1107/S0108270192007315

data_2001884
_publ_section_title
;
 Structure of an allotropic form of
 [bis(trimethylsilyl)amido]dichloro(\h^5^-cyclopentadienyl)titanium
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              540
_journal_page_last               542
_journal_paper_doi               10.1107/S0108270192007315
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C11 H23 Cl2 N Si2 Ti'
_chemical_formula_weight         344.3
_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                91.98(8)
_cell_angle_beta                 99.33(9)
_cell_angle_gamma                85.13(5)
_cell_formula_units_Z            2
_cell_length_a                   8.831(4)
_cell_length_b                   14.270(8)
_cell_length_c                   6.774(8)
_cell_volume                     839.1(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.95
_exptl_crystal_density_diffrn    1.36
_exptl_crystal_F_000             360
_cod_data_source_file            pa1006.cif
_cod_data_source_block           pa1006_structure_1_of_1
_cod_original_cell_volume        839.2(8)
_cod_original_formula_sum        'C11 H23 Cl2 N1 Si2 Ti1'
_cod_database_code               2001884
Bis(tetraethylammonium) nickel tetrakisthiophenolate: a new polymorph
Rheingold, A. L.; Beall, K. S.; Riggs, P. J.; Groh, S. E.; Acta Crystallographica Section C 49 (1993) 542–543; doi:10.1107/S0108270192007704

data_2001885
_publ_section_title
;
 Bis(tetraethylammonium) nickel tetrakisthiophenolate: a new polymorph
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              542
_journal_page_last               543
_journal_paper_doi               10.1107/S0108270192007704
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '2(C8 H20 N1),C24 H20 Ni1 S4'
_chemical_formula_sum            'C40 H60 N2 Ni S4'
_chemical_formula_weight         755.86
_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                   14.145(7)
_cell_length_b                   16.482(8)
_cell_length_c                   17.589(8)
_cell_volume                     4101(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.698
_exptl_crystal_density_diffrn    1.224
_exptl_crystal_F_000             1624
_cod_data_source_file            hh1015.cif
_cod_data_source_block           hh1015_structure_1_of_1
_cod_original_formula_sum        'C40 H60 N2 Ni1 S4'
_cod_database_code               2001885
Structure of 3-(<i>p</i>-chlorophenyl)-3,4-dihydro-1<i>H</i>-2,3-benzothiazine 2,2-dioxide
Rivero, B. E.; Bianchet, M. A.; Bravo, R. D.; Acta Crystallographica Section C 49 (1993) 544–546; doi:10.1107/S0108270192007881

data_2001886
_publ_section_title
;
 Structure of
 3-(<i>p</i>-chlorophenyl)-3,4-dihydro-1<i>H</i>-2,3-benzothiazine
 2,2-dioxide
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              544
_journal_page_last               546
_journal_paper_doi               10.1107/S0108270192007881
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C14 H12 Cl1 N1 O2 S1'
_chemical_formula_sum            'C14 H12 Cl N O2 S'
_chemical_formula_weight         293.77
_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                 100.01(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.269(3)
_cell_length_b                   14.095(5)
_cell_length_c                   8.508(5)
_cell_volume                     1330.8(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.37
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_F_000             608
_cod_data_source_file            gr0194.cif
_cod_data_source_block           gr0194_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1331(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C14 H12 Cl1 N1 O2 S1'
_cod_database_code               2001886
Structure of 6-chloro-3,4-dihydro-1<i>H</i>-2,3-benzothiazine 2,2-dioxide
Rivero, B. E.; Bianchet, M. A.; Bravo, R. D.; Acta Crystallographica Section C 49 (1993) 546–548; doi:10.1107/S0108270192007042

data_2001887
_publ_section_title
;
 Structure of 6-chloro-3,4-dihydro-1<i>H</i>-2,3-benzothiazine
 2,2-dioxide
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              546
_journal_page_last               548
_journal_paper_doi               10.1107/S0108270192007042
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C8 H8 Cl N O2 S'
_chemical_formula_weight         217.68
_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                 113.00(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.860(2)
_cell_length_b                   9.849(9)
_cell_length_c                   9.360(3)
_cell_volume                     921.6(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.594
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_F_000             448
_cod_data_source_file            gr0195.cif
_cod_data_source_block           gr0195_structure_1_of_1
_cod_original_cell_volume        921.0(10)
_cod_original_formula_sum        'C8 H8 Cl1 N1 O2 S1'
_cod_database_code               2001887
Structure of 4-methylpyridinium bromide
Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.; Acta Crystallographica Section C 49 (1993) 548–550; doi:10.1107/S0108270192006826

data_2001888
_publ_section_title
;
 Structure of 4-methylpyridinium bromide
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              548
_journal_page_last               550
_journal_paper_doi               10.1107/S0108270192006826
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C6 H8 Br N'
_chemical_formula_weight         174.05
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.62(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.785(4)
_cell_length_b                   8.318(3)
_cell_length_c                   4.9200(10)
_cell_volume                     349.4(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.723
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_F_000             172
_cod_data_source_file            hh0618.cif
_cod_data_source_block           hh0618_structure_1_of_1
_cod_original_cell_volume        349.4(4)
_cod_original_sg_symbol_H-M      'C m'
_cod_original_formula_sum        'C6 H8 Br1 N1'
_cod_database_code               2001888
Structure of diphenyl carbonate
King, Jnr, J. A.; Bryant, Jnr, G. L.; Acta Crystallographica Section C 49 (1993) 550–551; doi:10.1107/S0108270192007571

data_2001889
_publ_section_title
;
 Structure of diphenyl carbonate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              550
_journal_page_last               551
_journal_paper_doi               10.1107/S0108270192007571
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C13 H10 O3'
_chemical_formula_weight         214.2
_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                   6.062(2)
_cell_length_b                   7.2420(10)
_cell_length_c                   23.375(4)
_cell_volume                     1026.2(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.092
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_F_000             448
_cod_data_source_file            st1002.cif
_cod_data_source_block           st1002_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-02
;
_cod_original_cell_volume        1026.2
_cod_original_sg_symbol_H-M      'P 212121'
_cod_database_code               2001889
Structure of two polymorphic acylpyridinium salts
Bryant, Jnr, G. L.; King, Jnr, J. A.; Acta Crystallographica Section C 49 (1993) 551–554; doi:10.1107/S0108270192007583

data_2001890
_publ_section_title
;
 Structure of two polymorphic acylpyridinium salts
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              551
_journal_page_last               554
_journal_paper_doi               10.1107/S0108270192007583
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C33 H30 B N O2'
_chemical_formula_weight         471.4
_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                 96.57(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.723(4)
_cell_length_b                   9.827(3)
_cell_length_c                   19.328(7)
_cell_volume                     2589.4(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.069
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_F_000             1000
_cod_data_source_file            st1001.cif
_cod_data_source_block           st1001_structure_1_of_2
_cod_original_cell_volume        2589.3
_cod_original_formula_sum        'C33 H30 B1 N1 O2'
_cod_database_code               2001890
Structure of two polymorphic acylpyridinium salts
Bryant, Jnr, G. L.; King, Jnr, J. A.; Acta Crystallographica Section C 49 (1993) 551–554; doi:10.1107/S0108270192007583

data_2001891
_publ_section_title
;
 Structure of two polymorphic acylpyridinium salts
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              551
_journal_page_last               554
_journal_paper_doi               10.1107/S0108270192007583
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C34 H30 B N O2'
_chemical_formula_weight         471.4
_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                 105.12(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.090(4)
_cell_length_b                   14.762(6)
_cell_length_c                   18.057(7)
_cell_volume                     2596.5(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.069
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_F_000             1000
_cod_data_source_file            st1001.cif
_cod_data_source_block           st1001_structure_2_of_2
_cod_original_cell_volume        2596.5
_cod_original_formula_sum        'C34 H30 B1 N1 O2'
_cod_database_code               2001891
Structure of 19-methylstrychninium (<i>S</i>)-{<i>S</i>-[(<i>R</i>)-1,2-di(ethoxycarbonyl)ethyl] <i>O</i>-methyl phosphorodithioate}
Berkman, C. E.; Fernandez, E. J.; Thompson, C. M.; Pavkovic, S. F.; Acta Crystallographica Section C 49 (1993) 554–556; doi:10.1107/S0108270192007637

data_2001892
_publ_section_title
;
 Structure of 19-methylstrychninium
 (<i>S</i>)-{<i>S</i>-[(<i>R</i>)-1,2-di(ethoxycarbonyl)ethyl]
 <i>O</i>-methyl phosphorodithioate}
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              554
_journal_page_last               556
_journal_paper_doi               10.1107/S0108270192007637
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C22 H25 N2 O2, C9 H16 O6 P1 S2'
_chemical_formula_sum            'C31 H41 N2 O8 P S2'
_chemical_formula_weight         664.77
_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                 98.518(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.3925(14)
_cell_length_b                   8.0054(14)
_cell_length_c                   24.305(4)
_cell_volume                     1614.9(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.22
_exptl_crystal_density_diffrn    1.37
_exptl_crystal_density_meas      1.42(3)
_exptl_crystal_F_000             704
_cod_data_source_file            st1007.cif
_cod_data_source_block           st1007_structure_1_of_1
_cod_original_cell_volume        1614.9(6)
_cod_original_formula_sum        'C31 H41 N2 O8 P1 S2'
_cod_database_code               2001892
Structure of (3aα,4α,7α,7aα)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxolane-4,7-diamine
Mackay, M. F.; Banwell, M. G.; Richards, S. L.; Acta Crystallographica Section C 49 (1993) 556–558; doi:10.1107/S0108270192007819

data_2001893
_publ_section_title
;Structure of
 (3a\a,4\a,7\a,7a\a)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxolane-4,7-diamine
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              556
_journal_page_last               558
_journal_paper_doi               10.1107/S0108270192007819
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C9 H16 N2 O2'
_chemical_formula_weight         184.2
_space_group_IT_number           146
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                118.030(10)
_cell_angle_beta                 118.030(10)
_cell_angle_gamma                118.030(10)
_cell_formula_units_Z            3
_cell_length_a                   12.594(2)
_cell_length_b                   12.594(2)
_cell_length_c                   12.594(2)
_cell_volume                     720.0(10)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.70
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_F_000             300
_cod_data_source_file            hl1011.cif
_cod_data_source_block           hl1011_structure_1_of_1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-09

Had to add explicit symmetry operators from the CCP4 library to force
the rhombohedral setting of the R3 group.

Saulius Gra\<zulis
;
_cod_original_cell_volume        720(2)
_cod_original_sg_symbol_H-M      'R 3 {rhombohedral axes}'
_cod_database_code               2001893
Structure of <i>N</i>-(2-furylmethyl)-α-cyano-2-furanacrylamide
Durruthy, O.; Pomés, R.; Fajardo, F.; Dago, A.; Acta Crystallographica Section C 49 (1993) 558–559; doi:10.1107/S010827019200698X

data_2001894
_publ_section_title
;
 Structure of <i>N</i>-(2-furylmethyl)-\a-cyano-2-furanacrylamide
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              558
_journal_page_last               559
_journal_paper_doi               10.1107/S010827019200698X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C13 H10 N2 O3'
_chemical_formula_weight         242.2
_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                94.1(2)
_cell_angle_beta                 93.8(2)
_cell_angle_gamma                93.6(2)
_cell_formula_units_Z            2
_cell_length_a                   5.3050(10)
_cell_length_b                   9.486(2)
_cell_length_c                   11.437(3)
_cell_volume                     571.5(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.096
_exptl_crystal_density_diffrn    1.41
_exptl_crystal_F_000             252
_cod_data_source_file            ab0276.cif
_cod_data_source_block           ab0276_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Updating _geom_angle_atom_site_1 and _geom_angle_atom_site_3 data
 values to establish relationships between rows in different loops.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        571.0(10)
_cod_database_code               2001894
Structure of ethyl 5-(2,2,2-trichloro-1-hydroxyethyl)furan-2-carboxylate
Durruthy, O.; Pomés, R.; Fajardo, F.; Dago, A.; Acta Crystallographica Section C 49 (1993) 559–560; doi:10.1107/S0108270192006991

data_2001895
_publ_section_title
;
 Structure of ethyl
 5-(2,2,2-trichloro-1-hydroxyethyl)furan-2-carboxylate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              559
_journal_page_last               560
_journal_paper_doi               10.1107/S0108270192006991
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C9 H9 Cl3 O4'
_chemical_formula_weight         287.5
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.01(4)
_cell_length_b                   13.910(10)
_cell_length_c                   7.58(4)
_cell_volume                     2426(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.7516
_exptl_crystal_density_diffrn    1.570(10)
_exptl_crystal_F_000             1168
_cod_data_source_file            ab0277.cif
_cod_data_source_block           ab0277_structure_1_of_1
_cod_database_code               2001895
8-(<i>N</i>-Methyl-<i>N</i>-tosylamino)bicyclo[4.2.0]octane-7-spiro-2'-oxacyclopropane
Feneau-Dupont, J.; Declercq, J.-P.; Vanwetswinkel, S.; Genicot, C.; Acta Crystallographica Section C 49 (1993) 561–562; doi:10.1107/S0108270192008175

data_2001896
_publ_section_title
8-(<i>N</i>-Methyl-<i>N</i>-tosylamino)bicyclo[4.2.0]octane-7-spiro-2'-oxacyclopropane
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              561
_journal_page_last               562
_journal_paper_doi               10.1107/S0108270192008175
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C17 H23 N O3 S'
_chemical_formula_weight         321.4
_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                 91.81(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.724(3)
_cell_length_b                   12.009(3)
_cell_length_c                   15.780(4)
_cell_volume                     1652.4(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.208
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_F_000             688
_cod_data_source_file            ha1011.cif
_cod_data_source_block           ha1011_structure_1_of_1
_cod_original_cell_volume        1652.4(9)
_cod_original_formula_sum        'C17 H23 N1 O3 S1'
_cod_database_code               2001896