LMucko/crystallography-open-database huggingface dataset:
Structure of glycine cyclo-tetraphosphate
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 888–890; doi:10.1107/s0108270188000496

data_2000060
_publ_section_title
;
 Structure of glycine cyclo-tetraphosphate
;
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              888
_journal_page_last               890
_journal_paper_doi               10.1107/s0108270188000496
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C8 H24 N4 O20 P4'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.64(5)
_cell_angle_beta                 105.27(5)
_cell_angle_gamma                99.40(5)
_cell_formula_units_Z            1
_cell_length_a                   7.988(5)
_cell_length_b                   8.449(5)
_cell_length_c                   9.739(5)
_cell_volume                     563.986
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.826
_refine_ls_R_factor_gt           0.025
_refine_ls_wR_factor_gt          0.025
_cod_depositor_comments
;
  Removing duplicated atoms:

  O6A O -0.1306(1) -0.1717(1) -0.1333(1)
  P2A P 0.13897(4) 0.20515(4) -0.01727(3)
  P1A P -0.21214(4) -0.06333(4) -0.22473(3)
  O3A O -0.0719(1) 0.1337(1) -0.1227(1)
  O4A O 0.1902(2) 0.4017(1) 0.0398(1)
  O5A O 0.2438(1) 0.1015(1) -0.0988(1)
  O1A O -0.1959(1) -0.1407(1) -0.3831(1)
  O2A O -0.3890(1) -0.0444(1) -0.2109(1)

  Since they are symmetry equivalents of the other provided atoms
  (therefore, more than one asymmetric unit was originally provided in
  this CIF).

  After this change, the calculated and tha declared chemical formulas
  match.

  Saulius Gra\<zulis
  2013-10-30
;
_cod_database_code               2000060
Structure of a Schiff-base macrocycle containing convergent methoxy groups
Baret, P.; Moneta, W.; Pierre, J. L.; Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 1254–1256; doi:10.1107/s0108270188003592

data_2000061
_publ_section_title
;
 Structure of a Schiff-base macrocycle containing convergent methoxy groups
;
_journal_issue                   7
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1254
_journal_page_last               1256
_journal_paper_doi               10.1107/s0108270188003592
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C38 H40 N4 O4'
_space_group_IT_number           41
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      41
_symmetry_space_group_name_Hall  'C -2ac 2'
_symmetry_space_group_name_H-M   'C 2 c b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.941(9)
_cell_length_b                   21.46(2)
_cell_length_c                   14.53(1)
_cell_volume                     3411.555
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.198
_refine_ls_R_factor_gt           0.055
_refine_ls_wR_factor_gt          0.055
_cod_database_code               2000061
Structure of a calcium ethylenediammonium cyclotetraphosphate hydrate
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 1189–1191; doi:10.1107/s0108270188003622

data_2000062
_publ_section_title
;
 Structure of a calcium ethylenediammonium cyclotetraphosphate hydrate
;
_journal_issue                   7
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1189
_journal_page_last               1191
_journal_paper_doi               10.1107/s0108270188003622
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C2 H25 Ca N2 O19.5 P4'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.611(3)
_cell_length_b                   18.709(3)
_cell_length_c                   7.861(2)
_cell_volume                     2148.861
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.71
_refine_ls_R_factor_gt           0.031
_refine_ls_wR_factor_gt          0.031
_cod_original_formula_sum        'C2 H25 Ca1 N2 O19.5 P4'
_cod_database_code               2000062
Structure of ethanolammonium cyclo-tetraphosphate
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 1416–1418; doi:10.1107/s0108270188003981

data_2000063
_publ_section_title
;
 Structure of ethanolammonium cyclo-tetraphosphate
;
_journal_issue                   8
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1416
_journal_page_last               1418
_journal_paper_doi               10.1107/s0108270188003981
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C8 H32 N4 O16 P4'
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.746(8)
_cell_length_b                   10.746(8)
_cell_length_c                   10.071(8)
_cell_volume                     1162.964
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.611
_refine_ls_R_factor_gt           0.034
_refine_ls_wR_factor_gt          0.034
_cod_database_code               2000063
Structure of isopropylammonium cyclo-triphosphate
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 1907–1909; doi:10.1107/S0108270188008510

data_2000064
_publ_section_title
;
 Structure of isopropylammonium cyclo-triphosphate
;
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1907
_journal_page_last               1909
_journal_paper_doi               10.1107/S0108270188008510
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C9 H30 N3 O9 P3'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 123.90(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.22(2)
_cell_length_b                   12.22(2)
_cell_length_c                   15.45(2)
_cell_volume                     3952.112
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.402
_refine_ls_R_factor_gt           0.039
_refine_ls_wR_factor_gt          0.039
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-08
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               2000064
Structure of potassium ethylenediammonium cyclo-triphosphate
Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 1909–1911; doi:10.1107/s0108270188008522

data_2000065
_publ_section_title
;
 Structure of potassium ethylenediammonium cyclo-triphosphate
;
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1909
_journal_page_last               1911
_journal_paper_doi               10.1107/s0108270188008522
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C2 H10 K N2 O9 P3'
_space_group_IT_number           68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.850(8)
_cell_length_b                   9.044(4)
_cell_length_c                   11.653(5)
_cell_volume                     2197.376
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.044
_refine_ls_R_factor_gt           0.038
_refine_ls_wR_factor_gt          0.038
_cod_original_sg_symbol_H-M      'C c c a'
_cod_original_formula_sum        'C2 H10 K1 N2 O9 P3'
_cod_database_code               2000065
Structures of glycine monophosphate and glycine cyclo-triphosphate
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 99–102; doi:10.1107/s0108270187008539

data_2000066
_publ_section_title
;
 Structures of glycine monophosphate and glycine cyclo-triphosphate
;
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              99
_journal_page_last               102
_journal_paper_doi               10.1107/s0108270187008539
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C2 H8 N O6 P'
_space_group_IT_number           14
_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                 114.7(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.580(2)
_cell_length_b                   7.840(2)
_cell_length_c                   9.249(3)
_cell_volume                     631.110
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.821
_refine_ls_R_factor_gt           0.024
_refine_ls_wR_factor_gt          0.024
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C2 H8 N1 O6 P1'
_cod_database_code               2000066
Crystal structure of bis(ethanolammonium)-dihydrogeno-diphosphate: (NH~3^-^~C~2~H~4^-^~OH)~2~H~2~P~2~O~7~
Averbuch-Pouchot, M. T.; Durif, A.; European Journal of Solid State and Inorganic Chemistry 29 (1992) 411–418; doi:

data_2000067
_publ_section_title
;
 Crystal structure of bis(ethanolammonium)-dihydrogeno-diphosphate:
 (NH~3^-^~C~2~H~4^-^~OH)~2~H~2~P~2~O~7~
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   3
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              411
_journal_page_last               418
_journal_volume                  29
_journal_year                    1992
_chemical_formula_sum            'C4 H18 N2 O9 P2'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.82(3)
_cell_angle_beta                 93.16(3)
_cell_angle_gamma                94.14(3)
_cell_formula_units_Z            2
_cell_length_a                   9.003(1)
_cell_length_b                   8.772(1)
_cell_length_c                   8.151(1)
_cell_volume                     609.212
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.636
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.035
_cod_database_code               2000067
Preparation and crystal-structure of hexas (isopropylammonium) decavanadate tetrahydrate
Averbuch-Pouchot, M. T.; Durif, A.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 351–361; doi:

data_2000068
_publ_section_title
;
 Preparation and crystal-structure of hexas (isopropylammonium)
 decavanadate tetrahydrate
;
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   5
_journal_page_first              351
_journal_page_last               361
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C18 H68 N6 O32 V10'
_space_group_IT_number           15
_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                 112.54(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.475(5)
_cell_length_b                   10.767(2)
_cell_length_c                   19.046(4)
_cell_volume                     4825.056
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.913
_refine_ls_R_factor_gt           0.029
_refine_ls_wR_factor_gt          0.029
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000068
Synthesis and crystal-structure of ethylammonium polyvanadate - C~2~H~5~NH~3~VO~3~
Averbuch-Pouchot, M.-T.; Durif, A.; Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie 319 (1994) 1013–1018; doi:

data_2000069
_publ_section_title
;
 Synthesis and crystal-structure of ethylammonium polyvanadate -
 C~2~H~5~NH~3~VO~3~
;
_journal_coden_ASTM              CMCAEK
_journal_issue                   9
_journal_name_full
;
 Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique,
 Chimie, Astronomie
;
_journal_page_first              1013
_journal_page_last               1018
_journal_volume                  319
_journal_year                    1994
_chemical_formula_sum            'C2 H8 N O3 V'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.85(2)
_cell_angle_beta                 91.39(2)
_cell_angle_gamma                90.02(2)
_cell_formula_units_Z            8
_cell_length_a                   10.816(2)
_cell_length_b                   14.329(4)
_cell_length_c                   7.473(1)
_cell_volume                     1137.131
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            'light green'
_refine_ls_R_factor_gt           0.032
_refine_ls_wR_factor_gt          0.032
_cod_original_formula_sum        'C2 H8 N1 O3 V1'
_cod_database_code               2000069
12-Formyl-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene
Minassian, F.; Pelloux-Léon, N.; Durif, A.; Vallée, Y.; Acta Crystallographica, Section C: Crystal Structure Communications 55 (1999) 781–783; doi:10.1107/s010827019801782x

data_2000070
_publ_section_title
;
 12-Formyl-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene
;
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              781
_journal_page_last               783
_journal_paper_doi               10.1107/s010827019801782x
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'C18 H16 O S'
_space_group_IT_number           14
_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                 107.68(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.149(5)
_cell_length_b                   12.760(3)
_cell_length_c                   16.754(7)
_cell_volume                     2881.920
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_description       prism
_refine_ls_R_factor_gt           0.041
_refine_ls_wR_factor_gt          0.041
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 H16 O1 S1'
_cod_database_code               2000070
Structure of copper tris(ethylenediammonium) bis(cyclo-tetraphosphate) tetradecahydrate
Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 45 (1989) 46–49; doi:10.1107/s0108270188010431

data_2000071
_publ_section_title
;
 Structure of copper tris(ethylenediammonium) bis(cyclo-tetraphosphate)
 tetradecahydrate
;
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              46
_journal_page_last               49
_journal_paper_doi               10.1107/s0108270188010431
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'C6 H58 Cu N6 O38 P8'
_space_group_IT_number           14
_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                 106.69(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.162(8)
_cell_length_b                   13.301(8)
_cell_length_c                   12.308(8)
_cell_volume                     2063.961
_exptl_crystal_density_diffrn    1.824
_refine_ls_R_factor_gt           0.037
_refine_ls_wR_factor_gt          0.037
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C6 H58 Cu1 N6 O38 P8'
_cod_database_code               2000071
(1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.03,6]undec-7-ene-4,11-dione
Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch-Pouchot, Marie-Thérèse; Philouze, Christian; Durif, André; Acta Crystallographica, Section C: Crystal Structure Communications 56 (2000) 1480–1481; doi:10.1107/s0108270100012361

data_2000072
_publ_section_title
;
 (1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.03,6]undec-7-ene-4,11-dione
;
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1480
_journal_page_last               1481
_journal_paper_doi               10.1107/s0108270100012361
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'C12 H10 Cl4 O2'
_chemical_melting_point          379
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.80(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.320(8)
_cell_length_b                   12.390(4)
_cell_length_c                   11.219(2)
_cell_volume                     1380.316
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.578
_refine_ls_R_factor_gt           0.05
_refine_ls_wR_factor_gt          0.05
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2000072
Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection through Polymorphic Transformations
Einhorn, Cathy; Durif, André; Averbuch, Marie-Thérèse; Einhorn, Jacques; Angewandte Chemie, International Edition in English 40 (2001) 1926–1929; doi:10.1002/1521-3773(20010518)40:10<1926::AID-ANIE1926>3.0.CO;2-3

data_2000073
_publ_section_title
;
 Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection
 through Polymorphic Transformations
;
_journal_issue                   10
_journal_name_full
;
 Angewandte Chemie, International Edition in English
;
_journal_page_first              1926
_journal_page_last               1929
_journal_paper_doi
10.1002/1521-3773(20010518)40:10<1926::AID-ANIE1926>3.0.CO;2-3
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C26 H19 N O4'
_chemical_melting_point          523.15
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.37(2)
_cell_angle_beta                 111.79(2)
_cell_angle_gamma                111.04(2)
_cell_formula_units_Z            2
_cell_length_a                   9.136(4)
_cell_length_b                   11.029(5)
_cell_length_c                   12.238(5)
_cell_volume                     996.406
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.364
_refine_ls_R_factor_gt           0.0432
_refine_ls_wR_factor_gt          0.0432
_cod_original_formula_sum        'C26 H19 N1 O4'
_cod_database_code               2000073
Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection through Polymorphic Transformations
Einhorn, Cathy; Durif, André; Averbuch, Marie-Thérèse; Einhorn, Jacques; Angewandte Chemie, International Edition in English 40 (2001) 1926–1929; doi:10.1002/1521-3773(20010518)40:10<1926::AID-ANIE1926>3.0.CO;2-3

data_2000074
_publ_section_title
;
 Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection
 through Polymorphic Transformations
;
_journal_issue                   10
_journal_name_full
;
 Angewandte Chemie, International Edition in English
;
_journal_page_first              1926
_journal_page_last               1929
_journal_paper_doi
10.1002/1521-3773(20010518)40:10<1926::AID-ANIE1926>3.0.CO;2-3
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C26 H19 N O4'
_chemical_melting_point          543.15
_space_group_IT_number           14
_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                 90.98(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.948(2)
_cell_length_b                   8.269(3)
_cell_length_c                   11.165(3)
_cell_volume                     1010.609
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.342
_refine_ls_R_factor_gt           0.065
_refine_ls_wR_factor_gt          0.065
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C26 H19 N1 O4'
_cod_database_code               2000074