LMucko/crystallography-open-database huggingface dataset:
Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu
Krause, J. A.; Baures, P. W.; Eggleston, D. S.; Acta Crystallographica Section B 49 (1993) 123–130; doi:10.1107/S0108768192006207

data_2100879
_publ_section_title
;
 Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr,
 Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate
 and <small>L</small>-His-<small>L</small>-Leu
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              123
_journal_page_last               130
_journal_paper_doi               10.1107/S0108768192006207
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C15 H22 N2 O4'
_chemical_formula_weight         294.35
_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                   5.6440(10)
_cell_length_b                   12.094(3)
_cell_length_c                   22.548(4)
_cell_volume                     1539.1(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.7228
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_F_000             632
_cod_data_source_file            cd0063.cif
_cod_data_source_block           cd0063a
_cod_original_cell_volume        1539.0(5)
_cod_database_code               2100879
Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu
Krause, J. A.; Baures, P. W.; Eggleston, D. S.; Acta Crystallographica Section B 49 (1993) 123–130; doi:10.1107/S0108768192006207

data_2100880
_publ_section_title
;
 Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr,
 Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate
 and <small>L</small>-His-<small>L</small>-Leu
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              123
_journal_page_last               130
_journal_paper_doi               10.1107/S0108768192006207
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C7 H15 N2 O3 S1,C7 H7 O3 S1'
_chemical_formula_sum            'C14 H22 N2 O6 S2'
_chemical_formula_weight         378.47
_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                   33.642(4)
_cell_length_b                   15.9510(10)
_cell_length_c                   6.7850(10)
_cell_volume                     3641.0(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    2.8865
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_F_000             1600
_cod_data_source_file            cd0063.cif
_cod_data_source_block           cd0063b
_cod_original_cell_volume        3641.0(4)
_cod_database_code               2100880
Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu
Krause, J. A.; Baures, P. W.; Eggleston, D. S.; Acta Crystallographica Section B 49 (1993) 123–130; doi:10.1107/S0108768192006207

data_2100881
_publ_section_title
;
 Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr,
 Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate
 and <small>L</small>-His-<small>L</small>-Leu
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              123
_journal_page_last               130
_journal_paper_doi               10.1107/S0108768192006207
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H20 N4 O3'
_chemical_formula_weight         268.32
_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                 99.000(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.5590(10)
_cell_length_b                   5.4510(10)
_cell_length_c                   20.463(2)
_cell_volume                     722.61(19)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.7102
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_F_000             288
_cod_data_source_file            cd0063.cif
_cod_data_source_block           cd0063c
_cod_original_cell_volume        722.7(3)
_cod_database_code               2100881
Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II)
Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C.; Acta Crystallographica Section B 49 (1993) 73–79; doi:10.1107/S010876819200661X

data_2100882
_publ_section_title
;
 Structure and stability of carboxylate complexes. XIX. The structures
 of diamminebis(glycolato)copper(II),
 tetraamminebis(ethoxyacetato)copper(II),
 bis(glycolato)bis(pyridine)copper(II) and
 bis(ethoxyacetato)bis(pyridine)copper(II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              73
_journal_page_last               79
_journal_paper_doi               10.1107/S010876819200661X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C4 H12 Cu N2 O6'
_chemical_formula_weight         247.7
_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                 132.2(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.858(3)
_cell_length_b                   5.499(3)
_cell_length_c                   15.076(4)
_cell_volume                     851(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.67
_exptl_crystal_density_diffrn    1.93
_exptl_crystal_F_000             508
_cod_data_source_file            ha0096.cif
_cod_data_source_block           ha0096a
_cod_original_cell_volume        851
_cod_original_formula_sum        'C4 H12 Cu1 N2 O6'
_cod_database_code               2100882
Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II)
Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C.; Acta Crystallographica Section B 49 (1993) 73–79; doi:10.1107/S010876819200661X

data_2100883
_publ_section_title
;
 Structure and stability of carboxylate complexes. XIX. The structures
 of diamminebis(glycolato)copper(II),
 tetraamminebis(ethoxyacetato)copper(II),
 bis(glycolato)bis(pyridine)copper(II) and
 bis(ethoxyacetato)bis(pyridine)copper(II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              73
_journal_page_last               79
_journal_paper_doi               10.1107/S010876819200661X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C8 H26 Cu N4 O6'
_chemical_formula_weight         337.9
_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                80.320(10)
_cell_angle_beta                 79.92(2)
_cell_angle_gamma                73.77(4)
_cell_formula_units_Z            1
_cell_length_a                   5.055(3)
_cell_length_b                   7.012(2)
_cell_length_c                   11.768(2)
_cell_volume                     391.2(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.42
_exptl_crystal_density_diffrn    1.43
_exptl_crystal_F_000             179
_cod_data_source_file            ha0096.cif
_cod_data_source_block           ha0096b
_cod_original_cell_volume        391.2
_cod_original_formula_sum        'C8 H26 Cu1 N4 O6'
_cod_database_code               2100883
Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II)
Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C.; Acta Crystallographica Section B 49 (1993) 73–79; doi:10.1107/S010876819200661X

data_2100884
_publ_section_title
;
 Structure and stability of carboxylate complexes. XIX. The structures
 of diamminebis(glycolato)copper(II),
 tetraamminebis(ethoxyacetato)copper(II),
 bis(glycolato)bis(pyridine)copper(II) and
 bis(ethoxyacetato)bis(pyridine)copper(II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              73
_journal_page_last               79
_journal_paper_doi               10.1107/S010876819200661X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H16 Cu N2 O6'
_chemical_formula_weight         371.8
_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                 137.86(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.383(6)
_cell_length_b                   5.755(3)
_cell_length_c                   17.629(4)
_cell_volume                     1523.6(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.55
_exptl_crystal_density_diffrn    1.62
_exptl_crystal_F_000             764
_cod_data_source_file            ha0096.cif
_cod_data_source_block           ha0096c
_cod_original_cell_volume        1524
_cod_original_formula_sum        'C14 H16 Cu1 N2 O6'
_cod_database_code               2100884
Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II)
Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C.; Acta Crystallographica Section B 49 (1993) 73–79; doi:10.1107/S010876819200661X

data_2100885
_publ_section_title
;
 Structure and stability of carboxylate complexes. XIX. The structures
 of diamminebis(glycolato)copper(II),
 tetraamminebis(ethoxyacetato)copper(II),
 bis(glycolato)bis(pyridine)copper(II) and
 bis(ethoxyacetato)bis(pyridine)copper(II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              73
_journal_page_last               79
_journal_paper_doi               10.1107/S010876819200661X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C18 H24 Cu N2 O6'
_chemical_formula_weight         427.9
_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                 99.19(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.579(5)
_cell_length_b                   14.220(10)
_cell_length_c                   13.904(3)
_cell_volume                     1869.6(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.19
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_F_000             892
_cod_data_source_file            ha0096.cif
_cod_data_source_block           ha0096d
_cod_original_cell_volume        1870
_cod_original_formula_sum        'C18 H24 Cu1 N2 O6'
_cod_database_code               2100885
Structure of precursors of higher-carbon sugars
Ciunik, Z.; Jarosz, S.; Acta Crystallographica Section B 49 (1993) 101–107; doi:10.1107/S0108768192005391

data_2100886
_publ_section_title
;
 Structure of precursors of higher-carbon sugars
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              101
_journal_page_last               107
_journal_paper_doi               10.1107/S0108768192005391
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C28 H36 O10'
_chemical_formula_sum            'C28 H36 O10'
_chemical_formula_weight         532.59
_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                 114.530(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.233(2)
_cell_length_b                   9.2710(10)
_cell_length_c                   11.804(2)
_cell_volume                     1417.0(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.797
_exptl_crystal_density_diffrn    1.2480(10)
_exptl_crystal_F_000             568
_cod_data_source_file            he1000.cif
_cod_data_source_block           he1000a
_cod_database_code               2100886
Structure of precursors of higher-carbon sugars
Ciunik, Z.; Jarosz, S.; Acta Crystallographica Section B 49 (1993) 101–107; doi:10.1107/S0108768192005391

data_2100887
_publ_section_title
;
 Structure of precursors of higher-carbon sugars
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              101
_journal_page_last               107
_journal_paper_doi               10.1107/S0108768192005391
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C28 H40 O12'
_chemical_formula_sum            'C28 H40 O12'
_chemical_formula_weight         568.62
_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                   8.9120(10)
_cell_length_b                   10.154(2)
_cell_length_c                   32.704(5)
_cell_volume                     2959.5(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.747
_exptl_crystal_density_diffrn    1.2160(10)
_exptl_crystal_F_000             1216
_cod_data_source_file            he1000.cif
_cod_data_source_block           he1000b
_cod_database_code               2100887
Crystal structure correlations in the photochemistry of dimethyl 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.; Acta Crystallographica Section B 49 (1993) 107–116; doi:10.1107/S0108768192006682

data_2100888
_publ_section_title
;
 Crystal structure correlations in the photochemistry of dimethyl
 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              107
_journal_page_last               116
_journal_paper_doi               10.1107/S0108768192006682
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H20 O4'
_chemical_formula_weight         348.4
_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_H-M   'P -1'
_cell_angle_alpha                98.510(10)
_cell_angle_beta                 113.340(10)
_cell_angle_gamma                80.970(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6950(10)
_cell_length_b                   13.6330(10)
_cell_length_c                   8.2730(10)
_cell_volume                     885.27(18)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.69
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_F_000             368
_cod_data_source_file            hh0614.cif
_cod_data_source_block           hh0614a
_cod_original_cell_volume        885.20(10)
_cod_database_code               2100888
Crystal structure correlations in the photochemistry of dimethyl 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.; Acta Crystallographica Section B 49 (1993) 107–116; doi:10.1107/S0108768192006682

data_2100889
_publ_section_title
;
 Crystal structure correlations in the photochemistry of dimethyl
 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              107
_journal_page_last               116
_journal_paper_doi               10.1107/S0108768192006682
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H20 O4'
_chemical_formula_weight         348.4
_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_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.300(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.124(2)
_cell_length_b                   14.392(2)
_cell_length_c                   14.3280(10)
_cell_volume                     1876.2(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.65
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_F_000             736
_cod_data_source_file            hh0614.cif
_cod_data_source_block           hh0614b
_cod_original_cell_volume        1876.1(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2100889
Crystal structure correlations in the photochemistry of dimethyl 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.; Acta Crystallographica Section B 49 (1993) 107–116; doi:10.1107/S0108768192006682

data_2100890
_publ_section_title
;
 Crystal structure correlations in the photochemistry of dimethyl
 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              107
_journal_page_last               116
_journal_paper_doi               10.1107/S0108768192006682
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H20 O4'
_chemical_formula_weight         348.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 131.430(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.994(4)
_cell_length_b                   11.9630(10)
_cell_length_c                   19.020(6)
_cell_volume                     3752.1(15)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.65
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_F_000             1472
_cod_data_source_file            hh0614.cif
_cod_data_source_block           hh0614c
_cod_original_cell_volume        3752.1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2100890
Structural studies on DNA-binding drugs: crystal structure and molecular dynamics studies of triazoloacridinones
Arjunan, P.; Arora, S. K.; Chalody, W.; Acta Crystallographica Section B 49 (1993) 96–101; doi:10.1107/S0108768192006517

data_2100891
_publ_section_title
;
 Structural studies on DNA-binding drugs: crystal structure and
 molecular dynamics studies of triazoloacridinones
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              96
_journal_page_last               101
_journal_paper_doi               10.1107/S0108768192006517
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C20 H23 N5 O'
_chemical_formula_weight         349.5
_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_H-M   'P -1'
_cell_angle_alpha                93.540(10)
_cell_angle_beta                 102.210(10)
_cell_angle_gamma                80.610(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2000(10)
_cell_length_b                   14.8900(10)
_cell_length_c                   5.1850(10)
_cell_volume                     907.9(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5417
_exptl_absorpt_coefficient_mu    0.62
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_F_000             372
_cod_data_source_file            hh0624.cif
_cod_data_source_block           hh0624a
_cod_original_cell_volume        907.90(10)
_cod_original_formula_sum        'C20 H23 N5 O1'
_cod_database_code               2100891