LMucko/crystallography-open-database huggingface dataset:
Structures of aqua and pyridine adducts of dimeric copper(II) 2-chlorobenzoate
Kawata, T.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.; Acta Crystallographica Section C 48 (1992) 1590–1594; doi:10.1107/S010827019200129X

data_2000591
_publ_section_title
;
 Structures of aqua and pyridine adducts of dimeric copper(II)
 2-chlorobenzoate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1590
_journal_page_last               1594
_journal_paper_doi               10.1107/S010827019200129X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C19 H13 Cl2 Cu1 N1 O4),2(C1 Cl4)'
_chemical_formula_sum            'C40 H26 Cl12 Cu2 N2 O8'
_chemical_formula_weight         1215.2
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.030(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.365(3)
_cell_length_b                   10.6880(10)
_cell_length_c                   20.542(2)
_cell_volume                     5051.5(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.533
_exptl_crystal_density_diffrn    1.60
_exptl_crystal_F_000             2424
_cod_data_source_file            as0583.cif
_cod_data_source_block           as0583b
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        5051.5(9)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2000591
Structure of the clathrate compound tris(2,4-pentanedionato)iron(III)-<i>trans</i>-1,2-dichloroethene (1/1)
Pang, L.; Hynes, R. C.; Whitehead, M. A.; Acta Crystallographica Section C 48 (1992) 1594–1597; doi:10.1107/S0108270192001331

data_2000592
_publ_section_title
;
 Structure of the clathrate compound
 tris(2,4-pentanedionato)iron(III)-<i>trans</i>-1,2-dichloroethene
 (1/1)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1594
_journal_page_last               1597
_journal_paper_doi               10.1107/S0108270192001331
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H23 Cl2 Fe O6'
_chemical_formula_weight         450.12
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_Hall           'P -2ac 2a'
_space_group_name_H-M_alt        'P 21 c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.844(2)
_cell_length_b                   10.244(19)
_cell_length_c                   26.550(5)
_cell_volume                     2133(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    0.98
_exptl_crystal_density_diffrn    1.37
_exptl_crystal_density_meas      1.401
_exptl_crystal_F_000             931.89
_cod_data_source_file            br0016.cif
_cod_data_source_block           br0016a
_cod_depositor_comments
;
 Adding the atomic displacement parameter values after consulting the original
 publication.

 Antanas Vaitkus,
 2018-01-31
;
_cod_original_cell_volume        2133.5(8)
_cod_original_formula_sum        'C17 H23 Cl2 Fe1 O6'
_cod_database_code               2000592
Bis(4,5-dimethylimidazol-2-ylidene)gold(I) chloride hydrate: an unexpected product from the reaction of tris(4,5-dimethylimidazol-2-yl)phosphine and tetrachloroauric acid
Britten, J. F.; Lock, C. J. L.; Wang, Z.; Acta Crystallographica Section C 48 (1992) 1600–1603; doi:10.1107/S0108270192001513

data_2000593
_publ_section_title
;
 Bis(4,5-dimethylimidazol-2-ylidene)gold(I) chloride hydrate: an
 unexpected product from the reaction of
 tris(4,5-dimethylimidazol-2-yl)phosphine and tetrachloroauric acid
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1600
_journal_page_last               1603
_journal_paper_doi               10.1107/S0108270192001513
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H16 Au1 N4,Cl1,H2 O1'
_chemical_formula_sum            'C10 H18 Au Cl N4 O'
_chemical_formula_weight         442.7
_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                 97.98(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.692(2)
_cell_length_b                   11.351(2)
_cell_length_c                   16.890(3)
_cell_volume                     1460.4(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    10.25
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_density_meas      2.01
_exptl_crystal_F_000             840
_cod_data_source_file            br0015.cif
_cod_data_source_block           br0015a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C10 H18 Au1 Cl1 N4 O1'
_cod_database_code               2000593
Structure of trimethylplatinum(IV) with a tripod ligand
Marsh, R. E.; Schaefer, W. P.; Lyon, D. K.; Labinger, J. A.; Bercaw, J. E.; Acta Crystallographica Section C 48 (1992) 1603–1606; doi:10.1107/S010827019200163X

data_2000594
_publ_section_title
;
 Structure of trimethylplatinum(IV) with a tripod ligand
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1603
_journal_page_last               1606
_journal_paper_doi               10.1107/S010827019200163X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H32 Co O9 P3 Pt'
_chemical_formula_weight         691.35
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                112.95(2)
_cell_angle_beta                 103.68(2)
_cell_angle_gamma                95.10(2)
_cell_formula_units_Z            3
_cell_length_a                   9.106(3)
_cell_length_b                   14.803(3)
_cell_length_c                   15.147(3)
_cell_volume                     1789.0(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.869
_exptl_crystal_density_diffrn    1.93
_exptl_crystal_F_000             1014
_cod_data_source_file            hh0605.cif
_cod_data_source_block           hh0605a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Marking atoms 'Pt2', 'Co2', 'P4', 'P5', 'P6', 'O10', 'O11', 'O12', 'O13',
 'O14', 'O15', 'O16', 'O17', 'O18', 'C10', 'C11', 'C12', 'C6p', 'C7p', 'C8p',
 'C9p', 'C10p' as belonging to the '-1' disorder group after consulting the
 original publication.

 Antanas Vaitkus,
 2017-06-14

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-02-16

 Marking atoms 'Pt2', 'Co2', 'P4', 'P5', 'P6', 'O10', 'O11', 'O12', 'O13',
 'O14', 'O15', 'O16', 'O17', 'O18', 'C10', 'C11', 'C12', 'C6p', 'C7p', 'C8p',
 'C9p', 'C10p' as having the occupancy of 0.5 after consulting the original
 publication.

 Antanas Vaitkus,
 2017-02-16

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-02-16
;
_cod_original_cell_volume        1788.9(9)
_cod_original_formula_sum        'C14 H32 Co1 O9 P3 Pt1'
_cod_database_code               2000594
Cp,Cp*-dimethyltantalum triflate
Schaefer, W. P.; Quan, R. W.; Bercaw, J. E.; Acta Crystallographica Section C 48 (1992) 1610–1612; doi:10.1107/S0108270192001628

data_2000595
_publ_section_title
;
 Cp,Cp*-dimethyltantalum triflate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1610
_journal_page_last               1612
_journal_paper_doi               10.1107/S0108270192001628
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C17 H26 Ta1,C1 F3 O3 S1'
_chemical_formula_sum            'C18 H26 F3 O3 S Ta'
_chemical_formula_weight         548.39
_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                   14.230(4)
_cell_length_b                   19.283(4)
_cell_length_c                   14.628(4)
_cell_volume                     4013.9(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.53
_exptl_crystal_density_diffrn    1.81
_exptl_crystal_F_000             2144
_cod_data_source_file            hh0590.cif
_cod_data_source_block           hh0590a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-26
;
_cod_original_cell_volume        4014(2)
_cod_original_formula_sum        'C18 H26 F3 O3 S1 Ta1'
_cod_database_code               2000595
Structure of μ-chloro-bis{bis[2-(2-pyridyl)ethylamine-<i>N</i>,<i>N</i>']copper(II)} trishexafluorophosphate
Alilou, E. H.; Giorgi, M.; Pierrot, M.; Reglier, M.; Acta Crystallographica Section C 48 (1992) 1612–1614; doi:10.1107/S0108270192001549

data_2000596
_publ_section_title
;
 Structure of
 \m-chloro-bis{bis[2-(2-pyridyl)ethylamine-<i>N</i>,<i>N</i>']copper(II)}
 trishexafluorophosphate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1612
_journal_page_last               1614
_journal_paper_doi               10.1107/S0108270192001549
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C28 H40 Cl1 Cu2 N8,3(F6 P1)'
_chemical_formula_sum            'C28 H40 Cl Cu2 F18 N8 P3'
_chemical_formula_weight         1086.12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.53(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.428(4)
_cell_length_b                   12.721(3)
_cell_length_c                   12.526(6)
_cell_volume                     2381.4(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.304
_exptl_crystal_density_diffrn    1.51
_exptl_crystal_F_000             1092
_cod_data_source_file            pa0275.cif
_cod_data_source_block           pa0275a
_cod_original_cell_volume        2381.7(2)
_cod_original_formula_sum        'C28 H40 Cl1 Cu2 F18 N8 P3'
_cod_database_code               2000596
3,3,6,9,9-Pentamethyl-2,10-diazabicyclo[4.4.0]dec-1-ene hydrogen trifluoroacetate
Patel, D.; Brown, D. S.; Traynor, J. R.; Acta Crystallographica Section C 48 (1992) 1614–1616; doi:10.1107/S0108270192001732

data_2000597
_publ_section_title
;
 3,3,6,9,9-Pentamethyl-2,10-diazabicyclo[4.4.0]dec-1-ene hydrogen
 trifluoroacetate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1614
_journal_page_last               1616
_journal_paper_doi               10.1107/S0108270192001732
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H25 F3 N2 O2'
_chemical_formula_weight         322.4
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P m m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.210(10)
_cell_length_b                   13.990(10)
_cell_length_c                   5.910(10)
_cell_volume                     844.2(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.069
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_F_000             344
_cod_data_source_file            hu0404.cif
_cod_data_source_block           hu0404a
_cod_original_cell_volume        845.9
_cod_database_code               2000597
Structure of ethyl 2-(2-amino-3-ethoxycarbonyl-4<i>H</i>-chromen-4-yl)-2-cyanoacetate
Kokila, M. K.; Nirmala, K. A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.; Acta Crystallographica Section C 48 (1992) 1619–1622; doi:10.1107/S0108270192000209

data_2000598
_publ_section_title
;
 Structure of ethyl
 2-(2-amino-3-ethoxycarbonyl-4<i>H</i>-chromen-4-yl)-2-cyanoacetate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1619
_journal_page_last               1622
_journal_paper_doi               10.1107/S0108270192000209
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H18 N2 O5'
_chemical_formula_weight         330.35
_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                 93.6450(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.335(2)
_cell_length_b                   8.5160(10)
_cell_length_c                   9.2730(10)
_cell_volume                     1681.4(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.77
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_density_meas      1.330
_exptl_crystal_F_000             696
_cod_data_source_file            cr0357.cif
_cod_data_source_block           cr0357a
_cod_original_cell_volume        1681.44
_cod_database_code               2000598
A chiral <i>N</i>-crontonyloxazolidinone Diels-Alder adduct
Marsh, R. E.; Schaefer, W. P.; Kukkola, P. J.; Myers, A. G.; Acta Crystallographica Section C 48 (1992) 1622–1624; doi:10.1107/S0108270192000738

data_2000599
_publ_section_title
;
 A chiral <i>N</i>-crontonyloxazolidinone Diels-Alder adduct
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1622
_journal_page_last               1624
_journal_paper_doi               10.1107/S0108270192000738
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C19 H23 N1 O4'
_chemical_formula_sum            'C19 H23 N O4'
_chemical_formula_weight         329.4
_chemical_name_systematic
;
 (4S)-4-Benzyl-3-[(4S,5S)-(1-methoxy-5-methylcyclohexen-4-yl)carbonyl]-2-oxazolidinone
;
_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                 111.86(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.453(3)
_cell_length_b                   7.163(4)
_cell_length_c                   11.929(2)
_cell_volume                     908.3(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.079
_exptl_crystal_density_diffrn    1.20
_exptl_crystal_F_000             352
_cod_data_source_file            hh0568.cif
_cod_data_source_block           hh0568a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        908.3(5)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C19 H23 N1 O4'
_cod_database_code               2000599
Crystal structure of a calcium channel antagonist: 4-(2,4-dichlorophenyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
Mehdi, S.; Ravikumar, K.; Acta Crystallographica Section C 48 (1992) 1627–1630; doi:10.1107/S0108270192001446

data_2000600
_publ_section_title
;Crystal structure of a calcium channel antagonist:
 4-(2,4-dichlorophenyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1627
_journal_page_last               1630
_journal_paper_doi               10.1107/S0108270192001446
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C23 H31 Cl2 N3 O2,H2 O1'
_chemical_formula_sum            'C23 H33 Cl2 N3 O3'
_chemical_formula_weight         470.4
_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                 107.470(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.686(5)
_cell_length_b                   7.590(2)
_cell_length_c                   23.578(6)
_cell_volume                     2506.9(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.284
_exptl_crystal_density_diffrn    1.22
_exptl_crystal_density_meas      1.213(2)
_exptl_crystal_F_000             1000
_cod_data_source_file            cr0394.cif
_cod_data_source_block           cr0394a
_cod_original_cell_volume        2507.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000600
Structure of 5β,10α,10β-triethylthebaine hydrochloride
Woudenberg, R. H.; Lie, T. S.; van Koningsveld, H.; Maat, L.; Acta Crystallographica Section C 48 (1992) 1630–1633; doi:10.1107/S0108270192000994

data_2000601
_publ_section_title
;
 Structure of 5\b,10\a,10\b-triethylthebaine hydrochloride
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1630
_journal_page_last               1633
_journal_paper_doi               10.1107/S0108270192000994
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C25 H33 N1 O3,H1 Cl1'
_chemical_formula_sum            'C25 H34 Cl N O3'
_chemical_formula_weight         432.00
_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                 109.650(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.304(2)
_cell_length_b                   10.987(2)
_cell_length_c                   11.833(2)
_cell_volume                     1139.2(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.1986
_exptl_crystal_density_diffrn    1.26
_exptl_crystal_F_000             464
_cod_data_source_file            al0525.cif
_cod_data_source_block           al0525a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        1139.2
_cod_original_formula_sum        'C25 H34 Cl1 N1 O3'
_cod_database_code               2000601
Acenaphtho[1,2-<i>a</i>]acenaphthylene at 178 K
Jones, P. G.; Bubenitschek, P.; Sheldrick, G. M.; Dyker, G.; Acta Crystallographica Section C 48 (1992) 1633–1635; doi:10.1107/S0108270192001458

data_2000602
_publ_section_title
;
 Acenaphtho[1,2-<i>a</i>]acenaphthylene at 178 K
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1633
_journal_page_last               1635
_journal_paper_doi               10.1107/S0108270192001458
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C22 H12'
_chemical_formula_weight         276.3
_chemical_name_systematic        acenaphtho[1,2-a]acenaphthylene
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.15(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.946(4)
_cell_length_b                   5.817(2)
_cell_length_c                   10.551(4)
_cell_volume                     670.1(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_F_000             288
_cod_data_source_file            ha0107.cif
_cod_data_source_block           ha0107a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        670.0
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000602
Structure of racemic (±)-6,8-dimethyl-6,12-methano-6<i>H</i>,12<i>H</i>,13<i>H</i>-[1]benzopyran[4,3-<i>d</i>][1,3]benzodioxocin-13-one
Valente, E. J.; Ruggiero, G.; Eggleston, D. S.; Acta Crystallographica Section C 48 (1992) 1635–1637; doi:10.1107/S0108270192001471

data_2000603
_publ_section_title
;Structure of racemic
 (+-)-6,8-dimethyl-6,12-methano-6<i>H</i>,12<i>H</i>,13<i>H</i>-[1]benzopyran[4,3-<i>d</i>][1,3]benzodioxocin-13-one
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1635
_journal_page_last               1637
_journal_paper_doi               10.1107/S0108270192001471
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H16 O4'
_chemical_formula_weight         320.35
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.59(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.482(3)
_cell_length_b                   8.0840(10)
_cell_length_c                   18.081(4)
_cell_volume                     1530.6(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    0.0902
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             672
_cod_data_source_file            st0570.cif
_cod_data_source_block           st0570a
_cod_original_cell_volume        1530.5(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000603