LMucko/crystallography-open-database huggingface dataset:
Structures of two molybdenum oxo complexes [MoOCl~3~(OPPh~3~)~2~] and [MoOI(dmpe)~2~]I
Owens, B. E.; Poli, R.; Acta Crystallographica Section C 48 (1992) 2137–2140; doi:10.1107/S010827019200475X

data_2000355
_publ_section_title
;
 Structures of two molybdenum oxo complexes [MoOCl~3~(OPPh~3~)~2~] and
 [MoOI(dmpe)~2~]I
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2137
_journal_page_last               2140
_journal_paper_doi               10.1107/S010827019200475X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C12 H32 I1 Mo1 O1 P4,I1'
_chemical_formula_sum            'C12 H32 I2 Mo O P4'
_chemical_formula_weight         666.03
_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                 96.58(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.310(2)
_cell_length_b                   15.580(6)
_cell_length_c                   13.741(3)
_cell_volume                     2405.3(12)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    27.667
_exptl_crystal_density_diffrn    1.84
_exptl_crystal_F_000             1280
_cod_data_source_file            gr0199.cif
_cod_data_source_block           gr0199b
_cod_original_cell_volume        2405(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C12 H32 I2 Mo1 O1 P4'
_cod_database_code               2000355
Structure of two tetrakis(3,4-ethylenedithio-2,2',5,5'-tetrathiafulvalene) tetracyanometallate dihydrate salts: β-[EDTTTF]~4~[<i>M</i>(CN)~4~].2H~2~O, <i>M</i> = Pt^II^, Pd^II^
Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P.; Acta Crystallographica Section C 48 (1992) 2141–2144; doi:10.1107/S0108270192003676

data_2000356
_publ_section_title
;
 Structure of two
 tetrakis(3,4-ethylenedithio-2,2',5,5'-tetrathiafulvalene)
 tetracyanometallate dihydrate salts:
 \b-[EDTTTF]~4~[<i>M</i>(CN)~4~].2H~2~O, <i>M</i> = Pt^II^, Pd^II^
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2141
_journal_page_last               2144
_journal_paper_doi               10.1107/S0108270192003676
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C32 H24 S24,C4 N4 Pt1,2(H2 O1)'
_chemical_formula_sum            'C36 H28 N4 O2 Pt S24'
_chemical_formula_weight         1513.3
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.82(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   27.217(12)
_cell_length_b                   11.708(2)
_cell_length_c                   8.416(6)
_cell_volume                     2593(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.704
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_F_000             1500
_cod_data_source_file            pa0279.cif
_cod_data_source_block           pa0279a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-07
;
_cod_original_cell_volume        2592.5
_cod_original_formula_sum        'C36 H28 N4 O2 Pt1 S24'
_cod_database_code               2000356
Structure of two tetrakis(3,4-ethylenedithio-2,2',5,5'-tetrathiafulvalene) tetracyanometallate dihydrate salts: β-[EDTTTF]~4~[<i>M</i>(CN)~4~].2H~2~O, <i>M</i> = Pt^II^, Pd^II^
Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P.; Acta Crystallographica Section C 48 (1992) 2141–2144; doi:10.1107/S0108270192003676

data_2000357
_publ_section_title
;
 Structure of two
 tetrakis(3,4-ethylenedithio-2,2',5,5'-tetrathiafulvalene)
 tetracyanometallate dihydrate salts:
 \b-[EDTTTF]~4~[<i>M</i>(CN)~4~].2H~2~O, <i>M</i> = Pt^II^, Pd^II^
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2141
_journal_page_last               2144
_journal_paper_doi               10.1107/S0108270192003676
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C32 H24 S24,C4 N4 Pd1,2(H2 O1)'
_chemical_formula_sum            'C36 H28 N4 O2 Pd S24'
_chemical_formula_weight         1424.59
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.19(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   26.790(16)
_cell_length_b                   11.736(4)
_cell_length_c                   8.467(4)
_cell_volume                     2581(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.329
_exptl_crystal_density_diffrn    1.833
_exptl_crystal_F_000             1436
_cod_data_source_file            pa0279.cif
_cod_data_source_block           pa0279b
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-07
;
_cod_original_cell_volume        2580.7
_cod_original_formula_sum        'C36 H28 N4 O2 Pd1 S24'
_cod_database_code               2000357
Structure of chelonaplysin C: a spongian diterpenoid from nudibranch <i>Chromodoris luteorosea</i>
Puliti, R.; Gavagnin, M.; Cimino, G.; Mattia, C. A.; Mazzarella, L.; Acta Crystallographica Section C 48 (1992) 2145–2147; doi:10.1107/S0108270192003196

data_2000358
_publ_section_title
;
 Structure of chelonaplysin C: a spongian diterpenoid from nudibranch
 <i>Chromodoris luteorosea</i>
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2145
_journal_page_last               2147
_journal_paper_doi               10.1107/S0108270192003196
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C22 H32 O5'
_chemical_formula_weight         376.5
_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                   8.3737(8)
_cell_length_b                   10.6469(8)
_cell_length_c                   22.429(2)
_cell_volume                     1999.6(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.67
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_F_000             816
_cod_data_source_file            ge0309.cif
_cod_data_source_block           ge0309a
_cod_original_cell_volume        1999.7(3)
_cod_database_code               2000358
Pyramidalization in a tetracyclic perpendicular diene derivative
Lloyd, B. A.; Arif, A. M.; Allred, E. L.; Acta Crystallographica Section C 48 (1992) 2147–2151; doi:10.1107/S0108270192003809

data_2000359
_publ_section_title
;
 Pyramidalization in a tetracyclic perpendicular diene derivative
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2147
_journal_page_last               2151
_journal_paper_doi               10.1107/S0108270192003809
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H20 O2'
_chemical_formula_weight         232.32
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.656(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.3620(10)
_cell_length_b                   6.7030(10)
_cell_length_c                   20.0110(10)
_cell_volume                     2445.8(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    0.6088
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_F_000             1008
_cod_data_source_file            hh0596.cif
_cod_data_source_block           hh0596a
_cod_original_cell_volume        2445.59
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               2000359
Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions
Drouin, M.; Lamothe, S.; Michel, A. G.; Acta Crystallographica Section C 48 (1992) 2151–2154; doi:10.1107/S0108270192004426

data_2000360
_publ_section_title
;
 Functionalized hydrocarbons with condensed ring skeletons. XII. A
 methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a
 vinylcyclododeca-3,9-diene, products from competing intramolecular
 Diels-Alder cycloadditions
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2151
_journal_page_last               2154
_journal_paper_doi               10.1107/S0108270192004426
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C23 H32 O8'
_chemical_formula_weight         436.50
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.1959(8)
_cell_length_b                   13.1959(8)
_cell_length_c                   26.6986(11)
_cell_volume                     4649.1(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    0.74
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_F_000             1872.0
_cod_data_source_file            du0316.cif
_cod_data_source_block           du0316a
_cod_original_cell_volume        4648.3(3)
_cod_database_code               2000360
Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions
Drouin, M.; Lamothe, S.; Michel, A. G.; Acta Crystallographica Section C 48 (1992) 2151–2154; doi:10.1107/S0108270192004426

data_2000361
_publ_section_title
;
 Functionalized hydrocarbons with condensed ring skeletons. XII. A
 methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a
 vinylcyclododeca-3,9-diene, products from competing intramolecular
 Diels-Alder cycloadditions
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2151
_journal_page_last               2154
_journal_paper_doi               10.1107/S0108270192004426
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C23 H32 O8'
_chemical_formula_weight         436.50
_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                 109.21(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.767(5)
_cell_length_b                   10.199(3)
_cell_length_c                   19.175(3)
_cell_volume                     2357.8(12)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    0.73
_exptl_crystal_density_diffrn    1.230
_exptl_crystal_F_000             936
_cod_data_source_file            du0316.cif
_cod_data_source_block           du0316b
_cod_original_cell_volume        2357
_cod_database_code               2000361
Structure of 2,3-dihydro-1-methylquinolin-2-spiro-2'-indan-3'-spiro-2''-(1'',3''-dithiane)-4,1'-dione
Beddoes, R. L.; Griera, R.; Alvarez, M.; Joule, J. A.; Acta Crystallographica Section C 48 (1992) 2154–2157; doi:10.1107/S0108270192002531

data_2000362
_publ_section_title
;Structure of
 2,3-dihydro-1-methylquinolin-2-spiro-2'-indan-3'-spiro-2''-(1'',3''-dithiane)-4,1'-dione
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2154
_journal_page_last               2157
_journal_paper_doi               10.1107/S0108270192002531
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C21 H19 N O2 S2'
_chemical_formula_weight         381.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 121.367(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.911(4)
_cell_length_b                   10.028(2)
_cell_length_c                   17.042(2)
_cell_volume                     3635.0(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    2.725
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_F_000             1600
_cod_data_source_file            he0048.cif
_cod_data_source_block           he0048a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        3634.8(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C21 H19 N1 O2 S2'
_cod_database_code               2000362
Structure of <i>p</i>-acetylbenzoic acid oxime
Maurin, J. K.; Paul, I. C.; Curtin, D. Y.; Acta Crystallographica Section C 48 (1992) 2163–2165; doi:10.1107/S0108270192003159

data_2000363
_publ_section_title
;
 Structure of <i>p</i>-acetylbenzoic acid oxime
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2163
_journal_page_last               2165
_journal_paper_doi               10.1107/S0108270192003159
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C9 H9 N O3'
_chemical_formula_weight         179.18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.1370(10)
_cell_length_b                   14.438(3)
_cell_length_c                   16.110(3)
_cell_volume                     1660.0(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.067
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_F_000             752
_cod_data_source_file            ab0273.cif
_cod_data_source_block           ab0273a
_cod_depositor_comments
;

  Adding the _atom_site_type_symbol data item to prevent confusion
  between hydrogen and holmium atoms.

  Adding the _atom_site_disorder_group and
  _atom_site_disorder_assembly data items to mark up the
  disordered C8 methyl group explicitely.

  Saulius Gra\<zulis
  2013-10-14
;
_cod_original_cell_volume        1660.04
_cod_original_formula_sum        'C9 H9 N1 O3'
_cod_database_code               2000363
Structure of 3-benzoylbenzoic acid oxime
Maurin, J. K.; Paul, I. C.; Curtin, D. Y.; Acta Crystallographica Section C 48 (1992) 2165–2167; doi:10.1107/S0108270192003147

data_2000364
_publ_section_title
;
 Structure of 3-benzoylbenzoic acid oxime
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2165
_journal_page_last               2167
_journal_paper_doi               10.1107/S0108270192003147
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H11 N O3'
_chemical_formula_weight         241.25
_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                 92.028(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1690(10)
_cell_length_b                   9.3700(10)
_cell_length_c                   13.883(2)
_cell_volume                     1192.0(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.057
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_F_000             504
_cod_data_source_file            ab0272.cif
_cod_data_source_block           ab0272a
_cod_depositor_comments
;

  Adding the _atom_site_type_symbol data item, to prevent confusion
  between hydrogen and holmium atoms.

  Saulius Gra\<zulis
  2013-10-17
;
_cod_original_cell_volume        1191.99
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C14 H11 N1 O3'
_cod_database_code               2000364
Structure of methyl 3-benzyl-5-phenyl-3<i>H</i>-1,2,4-dioxazole-3-carboxylate
Giordano, F.; Acta Crystallographica Section C 48 (1992) 2172–2174; doi:10.1107/S0108270192003871

data_2000365
_publ_section_title
;
 Structure of methyl
 3-benzyl-5-phenyl-3<i>H</i>-1,2,4-dioxazole-3-carboxylate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2172
_journal_page_last               2174
_journal_paper_doi               10.1107/S0108270192003871
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H15 N O4'
_chemical_formula_weight         297.3
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.790(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.157(5)
_cell_length_b                   5.9790(10)
_cell_length_c                   19.492(3)
_cell_volume                     3020.3(9)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.736
_exptl_crystal_density_diffrn    1.31
_exptl_crystal_F_000             1248
_cod_data_source_file            ge0306.cif
_cod_data_source_block           ge0306a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        3020.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C17 H15 N1 O4'
_cod_database_code               2000365
Structure of polymorph II of (1<i>R</i>,3<i>S</i>)-1,2,2-trimethyl-3-(4-methylthiobenzoyl)cyclopentanecarboxylic acid
Rambaud, J.; Pauvert, B.; Boussab, A.; Terol, A.; Chevallet, P.; Declercq, J.-P.; Acta Crystallographica Section C 48 (1992) 2174–2177; doi:10.1107/S010827019200338X

data_2000366
_publ_section_title
;Structure of polymorph II of
 (1<i>R</i>,3<i>S</i>)-1,2,2-trimethyl-3-(4-methylthiobenzoyl)cyclopentanecarboxylic
 acid
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2174
_journal_page_last               2177
_journal_paper_doi               10.1107/S010827019200338X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H22 O3 S'
_chemical_formula_weight         306.407
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.327(5)
_cell_length_b                   19.277(8)
_cell_length_c                   6.361(2)
_cell_volume                     1634.2(10)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.77
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_F_000             656
_cod_data_source_file            al0533.cif
_cod_data_source_block           al0533a
_cod_original_cell_volume        1634.0(10)
_cod_original_formula_sum        'C17 H22 O3 S1'
_cod_database_code               2000366
Structures of three tricyclic γ-lactams
Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T.; Acta Crystallographica Section C 48 (1992) 2177–2181; doi:10.1107/S0108270192003111

data_2000367
_publ_section_title
;
 Structures of three tricyclic \g-lactams
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2177
_journal_page_last               2181
_journal_paper_doi               10.1107/S0108270192003111
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H13 N O'
_chemical_formula_weight         187.24
_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                 103.17(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.589(2)
_cell_length_b                   8.330(3)
_cell_length_c                   8.186(4)
_cell_volume                     968.6(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.0764
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_F_000             400
_cod_data_source_file            gr0201.cif
_cod_data_source_block           gr0201a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        968.6(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C12 H13 N1 O1'
_cod_database_code               2000367