LMucko/crystallography-open-database huggingface dataset:
Structures of 1:1 addition compounds of methyl cholate with methanol and with 2-propanol
Miki, K.; Masui, A.; Kasai, N.; Goonewardena, W.; Shibakami, M.; Takemoto, K.; Miyata, M.; Acta Crystallographica Section C 48 (1992) 503–507; doi:10.1107/S0108270191009307

data_2001006
_publ_section_title
;
 Structures of 1:1 addition compounds of methyl cholate with methanol
 and with 2-propanol
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              503
_journal_page_last               507
_journal_paper_doi               10.1107/S0108270191009307
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C25 H42 O5,C1 H4 O1'
_chemical_formula_sum            'C26 H46 O6'
_chemical_formula_weight         454.65
_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                 121.050(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.184(3)
_cell_length_b                   7.7970(10)
_cell_length_c                   15.174(3)
_cell_volume                     2552.6(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.623
_exptl_crystal_density_diffrn    1.183
_exptl_crystal_F_000             1000
_cod_data_source_file            as0515.cif
_cod_data_source_block           as0515a
_cod_original_cell_volume        2552.8(7)
_cod_database_code               2001006
Structures of 1:1 addition compounds of methyl cholate with methanol and with 2-propanol
Miki, K.; Masui, A.; Kasai, N.; Goonewardena, W.; Shibakami, M.; Takemoto, K.; Miyata, M.; Acta Crystallographica Section C 48 (1992) 503–507; doi:10.1107/S0108270191009307

data_2001007
_publ_section_title
;
 Structures of 1:1 addition compounds of methyl cholate with methanol
 and with 2-propanol
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              503
_journal_page_last               507
_journal_paper_doi               10.1107/S0108270191009307
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C25 H42 O5,C3 H8 O1'
_chemical_formula_sum            'C28 H50 O6'
_chemical_formula_weight         482.7
_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                 121.080(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.835(2)
_cell_length_b                   8.1370(10)
_cell_length_c                   15.553(2)
_cell_volume                     2800.2(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.592
_exptl_crystal_density_diffrn    1.145
_exptl_crystal_F_000             1064
_cod_data_source_file            as0515.cif
_cod_data_source_block           as0515b
_cod_original_cell_volume        2800.3(3)
_cod_database_code               2001007
Structures of new DNA photocleaving agents: 3,6-bis(dimethylamino)-10-[6-(4-nitrobenzoyloxy)hexyl]acridinium chloride (1) and 9-{[6-(4-nitrobenzoyloxy)hexyl]amino}acridinium chloride monohydrate (II)
Kuroda, R.; Shinomiya, M.; Acta Crystallographica Section C 48 (1992) 512–515; doi:10.1107/S0108270191009563

data_2001008
_publ_section_title
;
 Structures of new DNA photocleaving agents:
 3,6-bis(dimethylamino)-10-[6-(4-nitrobenzoyloxy)hexyl]acridinium
 chloride (1) and 9-{[6-(4-nitrobenzoyloxy)hexyl]amino}acridinium
 chloride monohydrate (II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              512
_journal_page_last               515
_journal_paper_doi               10.1107/S0108270191009563
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C30 H35 N4 O4,Cl1'
_chemical_formula_sum            'C30 H35 Cl N4 O4'
_chemical_formula_weight         551.07
_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                111.490(10)
_cell_angle_beta                 105.740(10)
_cell_angle_gamma                95.820(10)
_cell_formula_units_Z            2
_cell_length_a                   10.512(2)
_cell_length_b                   11.203(2)
_cell_length_c                   14.469(2)
_cell_volume                     1487.2(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.468
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_meas      1.23
_exptl_crystal_F_000             584
_cod_data_source_file            as0520.cif
_cod_data_source_block           as0520a
_cod_depositor_comments
;
 Marking atoms 'Cl(1)', 'Cl(2)' and 'Cl(3)' as belonging to disorder groups
 '1', '2' and '3' with the occupancies of '0.48', '0.37' and '0.15'
 respectively after consulting the original publication.

 Antanas Vaitkus,
 2017-09-12
;
_cod_original_cell_volume        1487.4(4)
_cod_original_formula_sum        'C30 H35 Cl1 N4 O4'
_cod_database_code               2001008
Structures of new DNA photocleaving agents: 3,6-bis(dimethylamino)-10-[6-(4-nitrobenzoyloxy)hexyl]acridinium chloride (1) and 9-{[6-(4-nitrobenzoyloxy)hexyl]amino}acridinium chloride monohydrate (II)
Kuroda, R.; Shinomiya, M.; Acta Crystallographica Section C 48 (1992) 512–515; doi:10.1107/S0108270191009563

data_2001009
_publ_section_title
;
 Structures of new DNA photocleaving agents:
 3,6-bis(dimethylamino)-10-[6-(4-nitrobenzoyloxy)hexyl]acridinium
 chloride (1) and 9-{[6-(4-nitrobenzoyloxy)hexyl]amino}acridinium
 chloride monohydrate (II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              512
_journal_page_last               515
_journal_paper_doi               10.1107/S0108270191009563
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C26 H26 N3 O4,Cl1,H2 O1'
_chemical_formula_sum            'C26 H28 Cl N3 O5'
_chemical_formula_weight         497.98
_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                95.480(10)
_cell_angle_beta                 98.170(10)
_cell_angle_gamma                101.780(10)
_cell_formula_units_Z            2
_cell_length_a                   9.4810(8)
_cell_length_b                   14.495(2)
_cell_length_c                   9.2550(10)
_cell_volume                     1222.2(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.734
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_meas      1.35
_exptl_crystal_F_000             524
_cod_data_source_file            as0520.cif
_cod_data_source_block           as0520b
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-24
;
_cod_original_cell_volume        1222.3(5)
_cod_original_formula_sum        'C26 H28 Cl1 N3 O5'
_cod_database_code               2001009
Structure and conductivity of a new phase of 3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene hexafluorophosphate: γ-(BEDT-TTF)~2~PF~6~
Bu, X.; Cisarova, I.; Coppens, P.; Lederle, B.; Naughton, M. J.; Acta Crystallographica Section C 48 (1992) 516–519; doi:10.1107/S0108270191009320

data_2001010
_publ_section_title
;
 Structure and conductivity of a new phase of
 3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene
 hexafluorophosphate: \g-(BEDT-TTF)~2~PF~6~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              516
_journal_page_last               519
_journal_paper_doi               10.1107/S0108270191009320
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C10 H8 S8),F6 P1'
_chemical_formula_sum            'C20 H16 F6 P S16'
_chemical_formula_weight         914.34
_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                78.270(10)
_cell_angle_beta                 88.55(2)
_cell_angle_gamma                87.78(2)
_cell_formula_units_Z            2
_cell_length_a                   6.607(2)
_cell_length_b                   14.988(2)
_cell_length_c                   16.803(3)
_cell_volume                     1627.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.122
_exptl_crystal_density_diffrn    1.87
_exptl_crystal_F_000             922
_cod_data_source_file            cr0328.cif
_cod_data_source_block           cr0328a
_cod_original_cell_volume        1627.8(8)
_cod_original_formula_sum        'C20 H16 F6 P1 S16'
_cod_database_code               2001010
(<i>E</i>)-3-Dimethylamino-1,2-diphenyl-2-propen-1-one: structure of an enaminone
Arriortua, M. I.; Urtiaga, M. K.; Domínguez, E.; Igartua, A.; Iriondo, C.; Solans, X.; Acta Crystallographica Section C 48 (1992) 528–530; doi:10.1107/S0108270191009708

data_2001011
_publ_section_title
;
 (<i>E</i>)-3-Dimethylamino-1,2-diphenyl-2-propen-1-one: structure of
 an enaminone
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              528
_journal_page_last               530
_journal_paper_doi               10.1107/S0108270191009708
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C17 H17 N1 O1'
_chemical_formula_sum            'C17 H17 N O'
_chemical_formula_weight         251.33
_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                 110.48(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.596(2)
_cell_length_b                   14.757(3)
_cell_length_c                   8.1260(10)
_cell_volume                     1302.6(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.085
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_F_000             536
_cod_data_source_file            al0446.cif
_cod_data_source_block           al0446a
_cod_original_cell_volume        1302.6(6)
_cod_original_sg_symbol_H-M      'P 21 n'
_cod_original_formula_sum        'C17 H17 N1 O1'
_cod_database_code               2001011
Structure of a charge-transfer complex of 3,8-diethyl-5,10-dimethyl-1,6-dioxapyrene (DEDMDOP) with 7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TCNQ)
Thorup, N.; Hjorth, M.; Christensen, J. B.; Bechgaard, K.; Acta Crystallographica Section C 48 (1992) 530–533; doi:10.1107/S0108270191010284

data_2001012
_publ_section_title
;
 Structure of a charge-transfer complex of
 3,8-diethyl-5,10-dimethyl-1,6-dioxapyrene (DEDMDOP) with
 7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TCNQ)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              530
_journal_page_last               533
_journal_paper_doi               10.1107/S0108270191010284
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C20 H20 O2,C12 H4 N4'
_chemical_formula_sum            'C32 H24 N4 O2'
_chemical_formula_weight         496.57
_space_group_crystal_system      orthorhombic
_space_group_IT_number           58
_space_group_name_Hall           '-P 2n 2'
_space_group_name_H-M_alt        'P m n n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7490(10)
_cell_length_b                   9.699(2)
_cell_length_c                   19.2040(10)
_cell_volume                     1257.1(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.0781
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_density_meas      1.291
_exptl_crystal_F_000             520
_cod_data_source_file            ab0239.cif
_cod_data_source_block           ab0239a
_cod_database_code               2001012
Structure of Sr~<i>x~</i>Ba~3{-~<i>x</i>}(B~3~O~6~)~2~ in a solid solution
Huang, Q.; Huang, L.; Dai, G.; Liang, J.; Acta Crystallographica Section C 48 (1992) 539–541; doi:10.1107/S0108270191009228

data_2001013
_publ_section_title
;
 Structure of Sr~<i>x~</i>Ba~3{-~<i>x</i>}(B~3~O~6~)~2~ in a solid
 solution
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              539
_journal_page_last               541
_journal_paper_doi               10.1107/S0108270191009228
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'B6 Ba O12 Sr'
_chemical_formula_weight         611.59
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.1620(10)
_cell_length_b                   7.1620(10)
_cell_length_c                   37.235(7)
_cell_volume                     1654.1(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.81
_exptl_crystal_density_diffrn    3.68
_exptl_crystal_density_meas      3.67
_exptl_crystal_F_000             1656
_cod_data_source_file            li0063.cif
_cod_data_source_block           li0063a
_cod_original_cell_volume        1653.9
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_original_formula_sum        'B6 Ba1 O12 Sr1'
_cod_database_code               2001013
Structure of 1,3-propanediammonium tetrachlorocobaltate(II)
Guo, N.; Lin, Y.-H.; Zeng, G.-F.; Xi, S.-Q.; Acta Crystallographica Section C 48 (1992) 542–543; doi:10.1107/S010827019100896X

data_2001014
_publ_section_title
;
 Structure of 1,3-propanediammonium tetrachlorocobaltate(II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              542
_journal_page_last               543
_journal_paper_doi               10.1107/S010827019100896X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C3 H12 N2, Cl4 Co1'
_chemical_formula_sum            'C3 H12 Cl4 Co N2'
_chemical_formula_weight         276.87
_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                 118.460(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.703(2)
_cell_length_b                   10.6530(10)
_cell_length_c                   10.852(2)
_cell_volume                     1087.8(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.260
_exptl_crystal_density_diffrn    1.69
_exptl_crystal_F_000             556
_cod_data_source_file            mu0180.cif
_cod_data_source_block           mu0180a
_cod_original_cell_volume        1087.80
_cod_original_formula_sum        'C3 H12 Cl4 Co1 N2'
_cod_database_code               2001014
(η^5^-Cyclopentadienyl)(thiocyanato-<i>N</i>)bis(triphenylphosphine)ruthenium dichloromethane solvate
Simpson, S. J.; Acta Crystallographica Section C 48 (1992) 544–545; doi:10.1107/S010827019101106X

data_2001015
_publ_section_title
;(\h^5^-Cyclopentadienyl)(thiocyanato-<i>N</i>)bis(triphenylphosphine)ruthenium
 dichloromethane solvate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              544
_journal_page_last               545
_journal_paper_doi               10.1107/S010827019101106X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C42 H35 N1 P2 Ru1 S1,C1 H2 Cl2'
_chemical_formula_sum            'C43 H37 Cl2 N P2 Ru S'
_chemical_formula_weight         833.7
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P -2bc 2a'
_space_group_name_H-M_alt        'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.887(2)
_cell_length_b                   20.495(4)
_cell_length_c                   20.780(4)
_cell_volume                     3784.8(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.716
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_F_000             1704
_cod_data_source_file            he0034.cif
_cod_data_source_block           he0034a
_cod_depositor_comments
;
 Correcting the space group by changing it from 'P n a 21' to 'P 21 n b'
 after consulting the original publication.

 Antanas Vaitkus,
 2018-02-01
;
_cod_original_cell_volume        3785.0(14)
_cod_original_formula_sum        'C43 H37 Cl2 N1 P2 Ru1 S1'
_cod_database_code               2001015
Structure of (3-benzylacetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl(triphenylphosphine)rhodium(I)
Roodt, A.; Leipoldt, J. G.; Swarts, J. C.; Steyn, G. J. J.; Acta Crystallographica Section C 48 (1992) 547–549; doi:10.1107/S0108270191009654

data_2001016
_publ_section_title
;Structure of
 (3-benzylacetylacetonato-\k^2^<i>O</i>,<i>O</i>')carbonyl(triphenylphosphine)rhodium(I)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              547
_journal_page_last               549
_journal_paper_doi               10.1107/S0108270191009654
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C31 H28 O3 P Rh'
_chemical_formula_weight         582.4
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.420(10)
_cell_angle_beta                 87.570(10)
_cell_angle_gamma                112.540(10)
_cell_formula_units_Z            2
_cell_length_a                   13.004(2)
_cell_length_b                   10.968(2)
_cell_length_c                   11.2300(10)
_cell_volume                     1334.1(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.717
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_density_meas      1.46
_exptl_crystal_F_000             596.0
_cod_data_source_file            ab0211.cif
_cod_data_source_block           ab0211a
_cod_original_cell_volume        1334.1
_cod_original_formula_sum        'C31 H28 O3 P1 Rh1'
_cod_database_code               2001016
Structure of 1,1,2,2-tetracarbonyl{<i>N</i>-[(2-pyridyl)methylidene]isopropylamine-μ-<i>N</i>^1^,2-σ-<i>N</i>^2^,1-η^2^-<i>CH</i>=<i>N</i>^1^}-1,2-bis(triphenylphosphine)ironruthenium(<i>Fe</i>-<i>Ru</i>)
Numan, M.; Goubitz, K.; Schenk, H.; Kraakman, M. J. A.; Acta Crystallographica Section C 48 (1992) 549–551; doi:10.1107/S0108270191009976

data_2001017
_publ_section_title
;
 Structure of
 1,1,2,2-tetracarbonyl{<i>N</i>-[(2-pyridyl)methylidene]isopropylamine-\m-<i>N</i>^1^,2-\s-<i>N</i>^2^,1-\h^2^-<i>CH</i>=<i>N</i>^1^}-1,2-bis(triphenylphosphine)ironruthenium(<i>Fe</i>-<i>Ru</i>)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              549
_journal_page_last               551
_journal_paper_doi               10.1107/S0108270191009976
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C49 H42 Fe N2 O4 P2 Ru'
_chemical_formula_weight         941.8
_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                90.950(10)
_cell_angle_beta                 100.230(10)
_cell_angle_gamma                101.95(2)
_cell_formula_units_Z            2
_cell_length_a                   11.625(3)
_cell_length_b                   14.269(3)
_cell_length_c                   15.963(2)
_cell_volume                     2546.0(10)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    5.67
_exptl_crystal_density_diffrn    1.2
_exptl_crystal_F_000             964
_cod_data_source_file            mu0278.cif
_cod_data_source_block           mu0278a
_cod_original_formula_sum        'C49 H42 Fe1 N2 O4 P2 Ru1'
_cod_database_code               2001017
Structure of citreohybridone A
Kubota, M.; Ohba, S.; Kosemura, S.; Matsunaga, K.; Yamamura, S.; Acta Crystallographica Section C 48 (1992) 552–554; doi:10.1107/S0108270191009770

data_2001018
_publ_section_title
;
 Structure of citreohybridone A
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              552
_journal_page_last               554
_journal_paper_doi               10.1107/S0108270191009770
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C30 H38 O9'
_chemical_formula_weight         542.6
_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                   13.1190(10)
_cell_length_b                   22.204(3)
_cell_length_c                   9.8680(10)
_cell_volume                     2874.5(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.086
_exptl_crystal_density_diffrn    1.25
_exptl_crystal_F_000             1160
_cod_data_source_file            as0528.cif
_cod_data_source_block           as0528a
_cod_database_code               2001018