LMucko/crystallography-open-database huggingface dataset:
6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol
Barnes, J. C.; Horspool, W. M.; Mackie, F. I.; Acta Crystallographica Section C 47 (1991) 1881–1885; doi:10.1107/S0108270191001932

data_2000249
_publ_section_title
;
 6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and
 3-chloro-2-methyl-4,5,6-triphenylphenol
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1881
_journal_page_last               1885
_journal_paper_doi               10.1107/S0108270191001932
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C25 H19 Cl O'
_chemical_formula_weight         370.88
_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                 99.120(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.211(8)
_cell_length_b                   26.50(2)
_cell_length_c                   12.477(9)
_cell_volume                     3986(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.16
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_F_000             1552
_cod_data_source_file            li0064.cif
_cod_data_source_block           li0064b
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        3982.8
_cod_original_formula_sum        'C25 H19 Cl1 O1'
_cod_database_code               2000249
Camphoric acid and ammonium hydrogen camphorate monohydrate
Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A.; Acta Crystallographica Section C 47 (1991) 1888–1892; doi:10.1107/S0108270191001713

data_2000250
_publ_section_title
;
 Camphoric acid and ammonium hydrogen camphorate monohydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1888
_journal_page_last               1892
_journal_paper_doi               10.1107/S0108270191001713
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C10 H16 O4'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.93(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.107(12)
_cell_length_b                   11.828(8)
_cell_length_c                   7.740(6)
_cell_volume                     1128.1(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     .71069
_exptl_absorpt_coefficient_mu    .055
_exptl_crystal_density_diffrn    1.18
_exptl_crystal_F_000             432
_cod_data_source_file            li0059.cif
_cod_data_source_block           li0059a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-08
;
_cod_original_cell_volume        1128.06
_cod_database_code               2000250
Camphoric acid and ammonium hydrogen camphorate monohydrate
Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A.; Acta Crystallographica Section C 47 (1991) 1888–1892; doi:10.1107/S0108270191001713

data_2000251
_publ_section_title
;
 Camphoric acid and ammonium hydrogen camphorate monohydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1888
_journal_page_last               1892
_journal_paper_doi               10.1107/S0108270191001713
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C10 H15 O4 1-, N H4 1+, H2 O'
_chemical_formula_sum            'C10 H21 N O5'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   13.013(5)
_cell_length_b                   13.013(5)
_cell_length_c                   6.326(7)
_cell_volume                     927.7(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    .063
_exptl_crystal_density_diffrn    1.26
_exptl_crystal_F_000             381
_cod_data_source_file            li0059.cif
_cod_data_source_block           li0059b
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-08

 Adding the _chemical_formula_moiety data item and updating the value of the
 _chemical_formula_sum data item after consulting the original publication.

 Antanas Vaitkus,
 2017-08-08
;
_cod_original_cell_volume        927.71
_cod_original_formula_sum        'C10 H20 N1 O5'
_cod_database_code               2000251
9-(Cyclohepta-2,4,6-trien-1-yl)xanthen-9-ol. X-ray crystal structure and computationally optimized structures compared
Badejo, I. T.; Fry, J. L.; Karaman, R.; Nadkarni, D.; Pinkerton, A. A.; Acta Crystallographica Section C 47 (1991) 1895–1898; doi:10.1107/S0108270191001038

data_2000252
_publ_section_title
;
 9-(Cyclohepta-2,4,6-trien-1-yl)xanthen-9-ol. X-ray crystal structure
 and computationally optimized structures compared
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1895
_journal_page_last               1898
_journal_paper_doi               10.1107/S0108270191001038
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C20 H16 O2'
_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                 106.74(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.690(3)
_cell_length_b                   6.1400(10)
_cell_length_c                   19.660(4)
_cell_volume                     1466.9(5)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    .08
_exptl_crystal_density_diffrn    1.31
_exptl_crystal_F_000             608
_cod_data_source_file            cr0275.cif
_cod_data_source_block           cr0275a
_cod_original_cell_volume        1466.9
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               2000252
Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin
Mogensen, P. K.; Simonsen, O.; Wainwright, C. E.; Underhill, A. E.; Acta Crystallographica Section C 47 (1991) 1905–1908; doi:10.1107/S0108270191001786

data_2000253
_publ_section_title
;
 Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and
 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1905
_journal_page_last               1908
_journal_paper_doi               10.1107/S0108270191001786
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C5 H6 O S4'
_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                 93.460(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.9750(10)
_cell_length_b                   14.7270(10)
_cell_length_c                   13.151(3)
_cell_volume                     1735.1(5)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    .99
_exptl_crystal_density_diffrn    1.61
_exptl_crystal_density_meas      1.62
_exptl_crystal_F_000             864
_cod_data_source_file            ab0174.cif
_cod_data_source_block           ab0174a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-08
;
_cod_original_cell_volume        1735.0(10)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C5 H6 O1 S4'
_cod_database_code               2000253
Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin
Mogensen, P. K.; Simonsen, O.; Wainwright, C. E.; Underhill, A. E.; Acta Crystallographica Section C 47 (1991) 1905–1908; doi:10.1107/S0108270191001786

data_2000254
_publ_section_title
;
 Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and
 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1905
_journal_page_last               1908
_journal_paper_doi               10.1107/S0108270191001786
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C5 H4 S5'
_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                 108.43(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.099(2)
_cell_length_b                   17.613(2)
_cell_length_c                   8.201(3)
_cell_volume                     1658.0(7)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.26
_exptl_crystal_density_diffrn    1.798
_exptl_crystal_density_meas      1.79
_exptl_crystal_F_000             912
_cod_data_source_file            ab0174.cif
_cod_data_source_block           ab0174b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-09
;
_cod_original_cell_volume        1658.0(10)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        C5H4S5
_cod_database_code               2000254
2,2-Dimethyl-1,2,3,4-tetrahydrobenzimidazo[3,2-<i>a</i>]pyrimid-4-one
Bird, C. W.; Nyburg, S. C.; Parkins, A. W.; Acta Crystallographica Section C 47 (1991) 1943–1945; doi:10.1107/S0108270191002780

data_2000255
_publ_section_title
;
 2,2-Dimethyl-1,2,3,4-tetrahydrobenzimidazo[3,2-<i>a</i>]pyrimid-4-one
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1943
_journal_page_last               1945
_journal_paper_doi               10.1107/S0108270191002780
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C12 H13 N3 O'
_chemical_formula_weight         215.25
_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                114.79(3)
_cell_angle_beta                 106.01(4)
_cell_angle_gamma                90.39(4)
_cell_formula_units_Z            2
_cell_length_a                   6.678(3)
_cell_length_b                   9.635(3)
_cell_length_c                   9.947(5)
_cell_volume                     553.0(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.655
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_F_000             228
_cod_data_source_file            li0065.cif
_cod_data_source_block           li0065a
_cod_original_cell_volume        553.0
_cod_original_formula_sum        C12H13N3O
_cod_database_code               2000255
Structure of carbonyl(2-pyridinethiolato <i>N</i>-oxide-κ<i>O</i>,κ<i>S</i>)(triphenylphosphine)rhodium(I)
Basson, S. S.; Leipoldt, J. G.; Roodt, A.; Preston, H.; Acta Crystallographica Section C 47 (1991) 1961–1963; doi:10.1107/S0108270191002512

data_2000256
_publ_section_title
;
 Structure of carbonyl(2-pyridinethiolato
 <i>N</i>-oxide-\k<i>O</i>,\k<i>S</i>)(triphenylphosphine)rhodium(I)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1961
_journal_page_last               1963
_journal_paper_doi               10.1107/S0108270191002512
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C24 H19 N O2 P Rh S'
_chemical_formula_sum            'C24 H19 N O2 P Rh S'
_chemical_formula_weight         519.4
_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                85.665(6)
_cell_angle_beta                 79.203(5)
_cell_angle_gamma                62.109(7)
_cell_formula_units_Z            2
_cell_length_a                   9.1270(10)
_cell_length_b                   9.3710(10)
_cell_length_c                   14.8930(10)
_cell_volume                     1105.8(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.918
_exptl_crystal_density_diffrn    1.56
_exptl_crystal_density_meas      1.53
_exptl_crystal_F_000             522
_cod_data_source_file            ab0187.cif
_cod_data_source_block           ab0187a
_cod_original_formula_sum        C24H19NO2PRhS
_cod_database_code               2000256
Lithium dibenzo-14-crown-4-acetate–ethanol (2/1)
Sachleben, R. A.; Burns, J. H.; Acta Crystallographica Section C 47 (1991) 1968–1969; doi:10.1107/S0108270191002858

data_2000257
_publ_section_title
;
 Lithium dibenzo-14-crown-4-acetate--ethanol (2/1)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1968
_journal_page_last               1969
_journal_paper_doi               10.1107/S0108270191002858
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         LiC20H21O6.0.5(C2H5OH)
_chemical_formula_sum            'C42 H47 Li2 O13'
_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                 102.09000
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.970(4)
_cell_length_b                   9.900(2)
_cell_length_c                   19.790(10)
_cell_volume                     1910.0(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.093
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_F_000             820
_cod_data_source_file            st0494.cif
_cod_data_source_block           st0494a
_cod_original_cell_volume        1910(2)
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'Li2 C42 H47 O13'
_cod_database_code               2000257
Structure of dibutanidobis(2,4,6-trimethylbenzoato)tin
Garbauskas, M. F.; Wengrovius, J. H.; Acta Crystallographica Section C 47 (1991) 1969–1971; doi:10.1107/S0108270191002950

data_2000258
_publ_section_title
;
 Structure of dibutanidobis(2,4,6-trimethylbenzoato)tin
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1969
_journal_page_last               1971
_journal_paper_doi               10.1107/S0108270191002950
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C28 H40 O4 Sn'
_chemical_formula_weight         559.3
_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                 91.60(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.07(2)
_cell_length_b                   9.976(10)
_cell_length_c                   22.76(4)
_cell_volume                     2739(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.963
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_F_000             1160
_cod_data_source_file            cr0312.cif
_cod_data_source_block           cr0312a
_cod_original_cell_volume        2738
_cod_original_formula_sum        C28H40O4Sn
_cod_database_code               2000258
Structure of <i>N</i>-ethyl-<i>m</i>-fluorophenylsuccinimide
Kwiatkowski, W.; Karolak-Wojciechowska, J.; Acta Crystallographica Section C 47 (1991) 1978–1980; doi:10.1107/S0108270191000872

data_2000259
_publ_section_title
;
 Structure of <i>N</i>-ethyl-<i>m</i>-fluorophenylsuccinimide
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1978
_journal_page_last               1980
_journal_paper_doi               10.1107/S0108270191000872
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C12 H12 F N O2'
_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'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                90
_cell_angle_beta                 96.820(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6230(10)
_cell_length_b                   10.810(2)
_cell_length_c                   15.297(2)
_cell_volume                     1087.4(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_F_000             464
_cod_data_source_file            cr0268.cif
_cod_data_source_block           cr0268a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1087.6(3)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C12 H12 N1 O2 F1'
_cod_database_code               2000259
3-Isopropyl-2-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,3-oxazine
Shoja, M.; Saba, S.; Acta Crystallographica Section C 47 (1991) 1994–1996; doi:10.1107/S0108270191001658

data_2000260
_publ_section_title
;
 3-Isopropyl-2-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,3-oxazine
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1994
_journal_page_last               1996
_journal_paper_doi               10.1107/S0108270191001658
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C13 H18 N2 O3'
_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                 108.64(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.196(2)
_cell_length_b                   16.490(3)
_cell_length_c                   7.7330(10)
_cell_volume                     1352.8(4)
_diffrn_radiation_type           cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    .59
_exptl_crystal_density_diffrn    1.23
_exptl_crystal_F_000             536
_cod_data_source_file            cr0290.cif
_cod_data_source_block           cr0290a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-28
;
_cod_original_cell_volume        1352.7(5)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               2000260
5-Methyl-4-(1-piperidyl)-5-trifluoromethyl-1,2-oxathiole
Tinant, B.; Declercq, J.-P.; Maliverney, C.; Viehe, H. G.; Acta Crystallographica Section C 47 (1991) 2000–2002; doi:10.1107/S0108270191002238

data_2000261
_publ_section_title
;
 5-Methyl-4-(1-piperidyl)-5-trifluoromethyl-1,2-oxathiole
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2000
_journal_page_last               2002
_journal_paper_doi               10.1107/S0108270191002238
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C10 H14 F3 N O3 S'
_chemical_formula_weight         285.28
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.324(2)
_cell_length_b                   12.038(3)
_cell_length_c                   11.252(3)
_cell_volume                     1263.0(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.297
_exptl_crystal_density_diffrn    1.50
_exptl_crystal_F_000             592
_cod_data_source_file            ha0039.cif
_cod_data_source_block           ha0039a
_cod_original_formula_sum        'C10 H14 F3 N1 O3 S1'
_cod_database_code               2000261
4-Phenylthio-2-(triisopropylsilyl)but-2-enenitrile
Tinant, B.; Declercq, J.-P.; Roekens, B.; Acta Crystallographica Section C 47 (1991) 2007–2008; doi:10.1107/S010827019100224X

data_2000262
_publ_section_title
;
 4-Phenylthio-2-(triisopropylsilyl)but-2-enenitrile
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2007
_journal_page_last               2008
_journal_paper_doi               10.1107/S010827019100224X
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C19 H29 N S Si'
_chemical_formula_weight         331.60
_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                 98.50(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.428(3)
_cell_length_b                   24.094(7)
_cell_length_c                   16.197(4)
_cell_volume                     4024.8(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.215
_exptl_crystal_density_diffrn    1.09
_exptl_crystal_F_000             1440
_cod_data_source_file            ha0040.cif
_cod_data_source_block           ha0040a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-07
;
_cod_original_cell_volume        4025(2)
_cod_original_formula_sum        'C19 H29 N1 S1 Si1'
_cod_database_code               2000262