LMucko/crystallography-open-database huggingface dataset:
Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O
Lis, T.; Acta Crystallographica Section C 49 (1993) 696–705; doi:10.1107/S0108270192010758

data_2001774
_publ_section_title
;
 Structure of phosphoglycolate (PG) in different ionization states.
 Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG,
 NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and
 Na~3~PG.4H~2~O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              696
_journal_page_last               705
_journal_paper_doi               10.1107/S0108270192010758
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C4 H5 O12 P2,5Na,4(H2 O1)'
_chemical_formula_sum            'C4 H13 Na5 O16 P2'
_chemical_formula_weight         494.04
_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                 96.88(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.960(4)
_cell_length_b                   17.793(12)
_cell_length_c                   13.151(9)
_cell_volume                     1616.9(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.47
_exptl_crystal_density_diffrn    2.029(3)
_exptl_crystal_density_meas      1.98
_exptl_crystal_F_000             1000
_cod_data_source_file            mu1010.cif
_cod_data_source_block           mu1010_structure_6_of_8
_cod_original_cell_volume        1617(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2001774
Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O
Lis, T.; Acta Crystallographica Section C 49 (1993) 696–705; doi:10.1107/S0108270192010758

data_2001775
_publ_section_title
;
 Structure of phosphoglycolate (PG) in different ionization states.
 Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG,
 NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and
 Na~3~PG.4H~2~O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              696
_journal_page_last               705
_journal_paper_doi               10.1107/S0108270192010758
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C2 H2 O6 P1,3Na,4(H2 O1)'
_chemical_formula_sum            'C2 H10 Na3 O10 P'
_chemical_formula_weight         294.04
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.617(9)
_cell_length_b                   6.977(8)
_cell_length_c                   27.65(2)
_cell_volume                     2048(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5618
_exptl_absorpt_coefficient_mu    4.12
_exptl_crystal_density_diffrn    1.907(4)
_exptl_crystal_F_000             1200
_cod_data_source_file            mu1010.cif
_cod_data_source_block           mu1010_structure_7_of_8
_cod_original_cell_volume        2048(4)
_cod_original_formula_sum        'C2 H10 Na3 O10 P1'
_cod_database_code               2001775
Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O
Lis, T.; Acta Crystallographica Section C 49 (1993) 696–705; doi:10.1107/S0108270192010758

data_2001776
_publ_section_title
;
 Structure of phosphoglycolate (PG) in different ionization states.
 Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG,
 NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and
 Na~3~PG.4H~2~O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              696
_journal_page_last               705
_journal_paper_doi               10.1107/S0108270192010758
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C2 H2 O6 P1,4(H2 O1),3Na'
_chemical_formula_sum            'C2 H10 Na3 O10 P'
_chemical_formula_weight         294.04
_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                 115.29(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.243(6)
_cell_length_b                   26.08(2)
_cell_length_c                   6.763(7)
_cell_volume                     995.6(18)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54118
_exptl_absorpt_coefficient_mu    0.424
_exptl_crystal_density_diffrn    1.962(4)
_exptl_crystal_density_meas      1.98
_exptl_crystal_F_000             600
_cod_data_source_file            mu1010.cif
_cod_data_source_block           mu1010_structure_8_of_8
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C2 H10 Na3 O10 P1'
_cod_database_code               2001776
Structure of 1,2-diphenylcarbaborane, 1,2-Ph~2~-1,2-<i>closo</i>-C~2~B~10~H~10~
Lewis, Z. G.; Welch, A. J.; Acta Crystallographica Section C 49 (1993) 705–710; doi:10.1107/S0108270192012125

data_2001777
_publ_section_title
;
 Structure of 1,2-diphenylcarbaborane,
 1,2-Ph~2~-1,2-<i>closo</i>-C~2~B~10~H~10~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              705
_journal_page_last               710
_journal_paper_doi               10.1107/S0108270192012125
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H20 B10'
_chemical_formula_weight         296.41
_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                 111.88(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   10.832(4)
_cell_length_b                   24.890(13)
_cell_length_c                   13.924(2)
_cell_volume                     3484(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.051
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_F_000             1232
_cod_data_source_file            mu1026.cif
_cod_data_source_block           mu1026_structure_1_of_1
_cod_original_cell_volume        3483.6
_cod_database_code               2001777
Structures of [HNEt~3~]^+^ and [Me~3~NCH~2~C~6~H~5~]^+^ salts of [7,8-Ph~2~-7,8-<i>nido</i>-C~2~B~9~H~10~]^{–^}
Cowie, J.; Donohoe, D. J.; Douek, N. L.; Welch, A. J.; Acta Crystallographica Section C 49 (1993) 710–714; doi:10.1107/S0108270192012137

data_2001778
_publ_section_title
;
 Structures of [HNEt~3~]^+^ and [Me~3~NCH~2~C~6~H~5~]^+^ salts of
 [7,8-Ph~2~-7,8-<i>nido</i>-C~2~B~9~H~10~]^{--^}
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              710
_journal_page_last               714
_journal_paper_doi               10.1107/S0108270192012137
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C14 H20 B9,C6 H16 N1'
_chemical_formula_sum            'C20 H36 B9 N'
_chemical_formula_weight         387.80
_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                67.83(5)
_cell_angle_beta                 80.78(4)
_cell_angle_gamma                60.20(5)
_cell_formula_units_Z            2
_cell_length_a                   11.014(4)
_cell_length_b                   11.030(7)
_cell_length_c                   12.333(6)
_cell_volume                     1203.3(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.052
_exptl_crystal_density_diffrn    1.070
_exptl_crystal_F_000             416
_cod_data_source_file            mu1027.cif
_cod_data_source_block           mu1027_structure_1_of_2
_cod_original_cell_volume        1203.3
_cod_original_formula_sum        'C20 H36 B9 N1'
_cod_database_code               2001778
Structures of [HNEt~3~]^+^ and [Me~3~NCH~2~C~6~H~5~]^+^ salts of [7,8-Ph~2~-7,8-<i>nido</i>-C~2~B~9~H~10~]^{–^}
Cowie, J.; Donohoe, D. J.; Douek, N. L.; Welch, A. J.; Acta Crystallographica Section C 49 (1993) 710–714; doi:10.1107/S0108270192012137

data_2001779
_publ_section_title
;
 Structures of [HNEt~3~]^+^ and [Me~3~NCH~2~C~6~H~5~]^+^ salts of
 [7,8-Ph~2~-7,8-<i>nido</i>-C~2~B~9~H~10~]^{--^}
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              710
_journal_page_last               714
_journal_paper_doi               10.1107/S0108270192012137
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C14 H20 B9,C10 H16 N1'
_chemical_formula_sum            'C24 H36 B9 N'
_chemical_formula_weight         435.85
_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                 106.59(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.751(4)
_cell_length_b                   21.662(4)
_cell_length_c                   11.975(3)
_cell_volume                     2672.7(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.053
_exptl_crystal_density_diffrn    1.083
_exptl_crystal_F_000             928
_cod_data_source_file            mu1027.cif
_cod_data_source_block           mu1027_structure_2_of_2
_cod_original_cell_volume        2672.5
_cod_original_formula_sum        'C24 H36 B9 N1'
_cod_database_code               2001779
Structure of 7,8-Ph~2~-10-<i>endo</i>-PPh~3~Hg-7,8-<i>nido</i>-C~2~B~9~H~9~ methylene chloride solvate
Lewis, Z. G.; Welch, A. J.; Acta Crystallographica Section C 49 (1993) 715–718; doi:10.1107/S0108270192012149

data_2001780
_publ_section_title
;
 Structure of
 7,8-Ph~2~-10-<i>endo</i>-PPh~3~Hg-7,8-<i>nido</i>-C~2~B~9~H~9~
 methylene chloride solvate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              715
_journal_page_last               718
_journal_paper_doi               10.1107/S0108270192012149
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C33 H36 B9 Cl2 Hg P'
_chemical_formula_weight         832.41
_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                 90.074(12)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.9534(15)
_cell_length_b                   13.274(3)
_cell_length_c                   11.5283(17)
_cell_volume                     1676.2(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.82
_exptl_crystal_density_diffrn    1.63
_exptl_crystal_F_000             796
_cod_data_source_file            mu1028.cif
_cod_data_source_block           mu1028_structure_1_of_1
_cod_original_cell_volume        1676.1
_cod_original_formula_sum        'C33 H36 B9 Cl2 Hg1 P1'
_cod_database_code               2001780
Molecular co-crystals of carboxylic acids. 11. Structure of the 1:1 adduct of triphenylphosphine oxide with (3,4-dichlorophenoxy)acetic acid
Lynch, D. E.; Smith, G.; Byriel, K. A.; Kennard, C. H. L.; Acta Crystallographica Section C 49 (1993) 718–721; doi:10.1107/S0108270192011193

data_2001781
_publ_section_title
;
 Molecular co-crystals of carboxylic acids. 11. Structure of the 1:1
 adduct of triphenylphosphine oxide with (3,4-dichlorophenoxy)acetic
 acid
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              718
_journal_page_last               721
_journal_paper_doi               10.1107/S0108270192011193
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C18 H15 O1 P1,C8 H6 Cl2 O3'
_chemical_formula_sum            'C26 H21 Cl2 O4 P'
_chemical_formula_weight         499.3
_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                90.97(3)
_cell_angle_beta                 95.25(3)
_cell_angle_gamma                102.24(3)
_cell_formula_units_Z            4
_cell_length_a                   8.539(4)
_cell_length_b                   15.564(7)
_cell_length_c                   18.768(10)
_cell_volume                     2426(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.36
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_F_000             1032
_cod_data_source_file            hl1016.cif
_cod_data_source_block           hl1016_structure_1_of_1
_cod_original_formula_sum        'C26 H21 Cl2 O4 P1'
_cod_database_code               2001781
Polymorphism in dethoxyprone, a steroidal anaesthetic. I. Structure of 11α-dimethylamino-2β-ethoxy-3α-hydroxy-5α-pregnan-20-one (dethoxyprone form I)
Palmer, R. A.; Palmer, H. T.; Lisgarten, J. N.; Lancaster, R.; Acta Crystallographica Section C 49 (1993) 721–723; doi:10.1107/S0108270192009028

data_2001782
_publ_section_title
;
 Polymorphism in dethoxyprone, a steroidal anaesthetic. I. Structure of
 11\a-dimethylamino-2\b-ethoxy-3\a-hydroxy-5\a-pregnan-20-one
 (dethoxyprone form I)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              721
_journal_page_last               723
_journal_paper_doi               10.1107/S0108270192009028
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C25 H43 N1 O3'
_chemical_formula_sum            'C25 H43 N O3'
_chemical_formula_weight         405
_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                 95.7(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.654(2)
_cell_length_b                   6.4280(10)
_cell_length_c                   21.032(3)
_cell_volume                     1164.2(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.505
_exptl_crystal_density_diffrn    1.16
_exptl_crystal_F_000             448
_cod_data_source_file            ab1023.cif
_cod_data_source_block           ab1023_structure_1_of_1
_cod_original_cell_volume        1164(2)
_cod_original_formula_sum        'C25 H43 N1 O3'
_cod_database_code               2001782
(4<i>S</i>,7<i>R</i>)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-1<i>H</i>(2<i>H</i>)-indazole (campho[2,3-<i>c</i>]pyrazole): comparison between the X-ray structure and carbon-13 NMR data in the solid state
Llamas-Saiz, A. L.; Foces-Foces, C.; Sobrados, I.; Elguero, J.; Meutermans, W.; Acta Crystallographica Section C 49 (1993) 724–729; doi:10.1107/S0108270192010187

data_2001783
_publ_section_title
;(4<i>S</i>,7<i>R</i>)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-1<i>H</i>(2<i>H</i>)-indazole
 (campho[2,3-<i>c</i>]pyrazole): comparison between the X-ray structure and
 carbon-13 NMR data in the solid state
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              724
_journal_page_last               729
_journal_paper_doi               10.1107/S0108270192010187
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C11 H16 N2'
_chemical_formula_weight         176.26
_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                 98.392(2)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   13.4077(3)
_cell_length_b                   12.6064(3)
_cell_length_c                   19.0523(6)
_cell_volume                     3185.79(15)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.4777
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_F_000             1152
_cod_data_source_file            al1008.cif
_cod_data_source_block           al1008_structure_1_of_1
_cod_original_cell_volume        3185.6(2)
_cod_database_code               2001783
Structure of (4α)-13-hydroxykaur-16-en-18-oic acid (steviol) methanol solvate
Dias Rodrigues, A. M. G.; de Almeida Santos, R. H.; Lechat, J. R.; Acta Crystallographica Section C 49 (1993) 729–731; doi:10.1107/S0108270192009181

data_2001784
_publ_section_title
;
 Structure of (4\a)-13-hydroxykaur-16-en-18-oic acid (steviol) methanol
 solvate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              729
_journal_page_last               731
_journal_paper_doi               10.1107/S0108270192009181
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C20 H30 O3,C1 H4 O1'
_chemical_formula_sum            'C21 H34 O4'
_chemical_formula_weight         350.5
_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                   7.407(2)
_cell_length_b                   14.442(3)
_cell_length_c                   17.696(3)
_cell_volume                     1893.0(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_density_diffrn    1.23
_exptl_crystal_density_meas      1.20
_exptl_crystal_F_000             768
_cod_data_source_file            cd1002.cif
_cod_data_source_block           cd1002_structure_1_of_1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-02
;
_cod_original_cell_volume        1893.0(10)
_cod_database_code               2001784
Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene
Ashkenazi, P.; Kaftory, M.; Acta Crystallographica Section C 49 (1993) 731–735; doi:10.1107/S0108270192012253

data_2001785
_publ_section_title
;
 Structures of Diels--Alder mono-adducts of 4-phenyl- or
 4-methyl-1,2,4-triazolidine-3,5-dione with
 11-substituted-1,6-methano[10]annulene
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              731
_journal_page_last               735
_journal_paper_doi               10.1107/S0108270192012253
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C19 H15 N3 O2'
_chemical_formula_weight         317.35
_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                 91.97(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.500(4)
_cell_length_b                   14.271(7)
_cell_length_c                   12.758(6)
_cell_volume                     1546.7(13)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.696
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_F_000             664
_cod_data_source_file            al1020.cif
_cod_data_source_block           al1020_structure_1_of_3
_cod_original_cell_volume        1546.67
_cod_database_code               2001785
Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene
Ashkenazi, P.; Kaftory, M.; Acta Crystallographica Section C 49 (1993) 731–735; doi:10.1107/S0108270192012253

data_2001786
_publ_section_title
;
 Structures of Diels--Alder mono-adducts of 4-phenyl- or
 4-methyl-1,2,4-triazolidine-3,5-dione with
 11-substituted-1,6-methano[10]annulene
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              731
_journal_page_last               735
_journal_paper_doi               10.1107/S0108270192012253
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C16 H15 N3 O4'
_chemical_formula_weight         313.31
_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                 91.05(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.421(3)
_cell_length_b                   10.872(5)
_cell_length_c                   10.564(5)
_cell_volume                     737.3(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.097
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_F_000             328
_cod_data_source_file            al1020.cif
_cod_data_source_block           al1020_structure_2_of_3
_cod_original_cell_volume        737.34
_cod_database_code               2001786