LMucko/crystallography-open-database huggingface dataset:
Structure of a complex of 1,4,8,11-tetraazacyclotetradecane (cyclam) with zinc(II) chloride
Alcock, N. W.; Berry, A.; Moore, P.; Acta Crystallographica Section C 48 (1992) 16–19; doi:10.1107/S0108270191008454

data_2001089
_publ_section_title
;
 Structure of a complex of 1,4,8,11-tetraazacyclotetradecane (cyclam)
 with zinc(II) chloride
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              16
_journal_page_last               19
_journal_paper_doi               10.1107/S0108270191008454
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C20 H48 Cl2 N8 Zn2,0.5(H2 O1),Cl4 Zn1'
_chemical_formula_sum            'C20 H49 Cl6 N8 O0.5 Zn3'
_chemical_formula_weight         818.5
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.950(5)
_cell_length_b                   17.950
_cell_length_c                   10.907(2)
_cell_volume                     3514.3(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.57
_exptl_crystal_density_diffrn    1.55
_exptl_crystal_density_meas      1.52
_cod_data_source_file            mu0269.cif
_cod_data_source_block           mu0269a
_cod_original_cell_volume        3514.0(10)
_cod_database_code               2001089
Structure of a new type of copper carboxylate complex: [Cu(C~14~H~8~O~3~)(C~10~H~8~N~2~)]~2~.C~3~H~7~N.H~2~O
Liu, S.-X.; Acta Crystallographica Section C 48 (1992) 22–24; doi:10.1107/S0108270191005383

data_2001090
_publ_section_title
;
 Structure of a new type of copper carboxylate complex:
 [Cu(C~14~H~8~O~3~)(C~10~H~8~N~2~)]~2~.C~3~H~7~N.H~2~O
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              22
_journal_page_last               24
_journal_paper_doi               10.1107/S0108270191005383
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C24 H16 Cu1 N2 O3),C3 H7 N1 O1,(H2 O1)'
_chemical_formula_sum            'C51 H41 Cu2 N5 O8'
_chemical_formula_weight         979.01
_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                 103.99(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.404(4)
_cell_length_b                   16.454(5)
_cell_length_c                   13.539(5)
_cell_volume                     2249.0(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.048
_exptl_crystal_density_diffrn    1.45
_exptl_crystal_F_000             1008
_cod_data_source_file            he0010.cif
_cod_data_source_block           he0010a
_cod_original_cell_volume        2249
_cod_database_code               2001090
Structure of 1,1':2,2'-bis(oxybismethylene)ferrocene
Geib, S. J.; Rao, S. J.; Petter, R. C.; Acta Crystallographica Section C 48 (1992) 25–27; doi:10.1107/S0108270191004250

data_2001091
_publ_section_title
;
 Structure of 1,1':2,2'-bis(oxybismethylene)ferrocene
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              25
_journal_page_last               27
_journal_paper_doi               10.1107/S0108270191004250
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H14 Fe O2'
_chemical_formula_weight         270.1
_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                 101.45(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.884(6)
_cell_length_b                   12.012(6)
_cell_length_c                   14.442(7)
_cell_volume                     2190.6(18)
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.358
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_F_000             1120
_cod_data_source_file            cr0317.cif
_cod_data_source_block           cr0317a
_cod_original_cell_volume        2191(2)
_cod_original_formula_sum        'C14 H14 Fe1 O2'
_cod_database_code               2001091
Structure of dichlorobis(1,10-phenanthroline <i>N</i>-oxide)copper(II) dihydrate
Kožíšek, J.; Baran, P.; Valigura, D.; Acta Crystallographica Section C 48 (1992) 31–33; doi:10.1107/S0108270191009642

data_2001092
_publ_section_title
;
 Structure of dichlorobis(1,10-phenanthroline <i>N</i>-oxide)copper(II)
 dihydrate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              31
_journal_page_last               33
_journal_paper_doi               10.1107/S0108270191009642
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C24 H16 Cl2 Cu1 N4 O2,2(H2 O1)'
_chemical_formula_sum            'C24 H20 Cl2 Cu N4 O4'
_chemical_formula_weight         562.90
_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                68.23(6)
_cell_angle_beta                 62.42(5)
_cell_angle_gamma                86.08(7)
_cell_formula_units_Z            1
_cell_length_a                   8.586(6)
_cell_length_b                   8.790(8)
_cell_length_c                   8.770(6)
_cell_volume                     540.5(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.30
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_meas      1.67(2)
_exptl_crystal_F_000             287
_cod_data_source_file            mu0249.cif
_cod_data_source_block           mu0249a
_cod_original_formula_sum        'C24 H20 Cl2 Cu1 N4 O4'
_cod_database_code               2001092
Structure of an aminodicarbonyldiiodo(triphenylphosphine)osmium complex
Lu, K. L.; Lin, Y. C.; Cheng, M. C.; Wang, Y.; Acta Crystallographica Section C 48 (1992) 33–35; doi:10.1107/S0108270191009149

data_2001093
_publ_section_title
;
 Structure of an aminodicarbonyldiiodo(triphenylphosphine)osmium
 complex
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              33
_journal_page_last               35
_journal_paper_doi               10.1107/S0108270191009149
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C3 H9 N1,C18 H15 P1,C2 I2 O2 Os1'
_chemical_formula_sum            'C23 H24 I2 N O2 Os P'
_chemical_formula_weight         821.4
_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_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.550(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.011(3)
_cell_length_b                   11.316(4)
_cell_length_c                   16.155(2)
_cell_volume                     2630.5(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    7.25
_exptl_crystal_density_diffrn    2.07
_cod_data_source_file            as0511.cif
_cod_data_source_block           as0511a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-08-14
;
_cod_original_cell_volume        2630.0(10)
_cod_original_formula_sum        'C23 H24 I2 N1 O2 Os1 P1'
_cod_database_code               2001093
A <i>gem</i>-diolato complex of platinum: structure of [{P(C~6~H~5~)~3~}~2~Pt{O~2~C(CF~3~)~2~}]
Hynes, R. C.; Willis, C. J.; Payne, N. C.; Acta Crystallographica Section C 48 (1992) 42–45; doi:10.1107/S0108270191009265

data_2001094
_publ_section_title
;
 A <i>gem</i>-diolato complex of platinum: structure of
 [{P(C~6~H~5~)~3~}~2~Pt{O~2~C(CF~3~)~2~}]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              42
_journal_page_last               45
_journal_paper_doi               10.1107/S0108270191009265
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C39 H30 F6 O2 P2 Pt'
_chemical_formula_weight         901.70
_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                 100.560(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.027(2)
_cell_length_b                   21.127(3)
_cell_length_c                   12.229(2)
_cell_volume                     3562.7(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.13
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_density_meas      1.71(3)
_exptl_crystal_F_000             1768
_cod_data_source_file            cd0038.cif
_cod_data_source_block           cd0038a
_cod_original_cell_volume        3563(2)
_cod_original_formula_sum        'C39 H30 F6 O2 P2 Pt1'
_cod_database_code               2001094
A chiral aminophosphine complex of platinum: structure of <i>cis</i>-dichloro[(1<i>S</i>)-<i>N</i>,<i>N</i>-dimethyl-1-{2-[(<i>S</i>)-<i>tert</i>-butylphenylphosphino]phenyl}ethylamine-<i>N</i>,<i>P</i>]platinum(II)
Payne, N. C.; Tobin, G. R.; Acta Crystallographica Section C 48 (1992) 45–48; doi:10.1107/S0108270191009216

data_2001095
_publ_section_title
;A chiral aminophosphine complex of platinum: structure of
 <i>cis</i>-dichloro[(1<i>S</i>)-<i>N</i>,<i>N</i>-dimethyl-1-{2-[(<i>S</i>)-<i>tert</i>-butylphenylphosphino]phenyl}ethylamine-<i>N</i>,<i>P</i>]platinum(II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              45
_journal_page_last               48
_journal_paper_doi               10.1107/S0108270191009216
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H28 Cl2 N P Pt'
_chemical_formula_weight         579.42
_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                   13.4820(10)
_cell_length_b                   15.926(4)
_cell_length_c                   9.827(2)
_cell_volume                     2110.0(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.05
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_meas      1.830(3)
_exptl_crystal_F_000             1128
_cod_data_source_file            cd0057.cif
_cod_data_source_block           cd0057a
_cod_original_cell_volume        2110.0(10)
_cod_original_formula_sum        'C20 H28 Cl2 N1 P1 Pt1'
_cod_database_code               2001095
Structure of tri-<i>n</i>-butyltin(IV) 1-uracilacetate
Kellö, E.; Vrábel, V.; Rattay, V.; Sivý, J.; Kožíšek, J.; Acta Crystallographica Section C 48 (1992) 51–53; doi:10.1107/S0108270191008934

data_2001096
_publ_section_title
;
 Structure of tri-<i>n</i>-butyltin(IV) 1-uracilacetate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              51
_journal_page_last               53
_journal_paper_doi               10.1107/S0108270191008934
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C12 H27 Sn,C6 H5 N2 O4'
_chemical_formula_sum            'C18 H32 N2 O4 Sn'
_chemical_formula_weight         459.15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.04(7)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.402(17)
_cell_length_b                   16.861(19)
_cell_length_c                   16.328(16)
_cell_volume                     4512(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.15
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_density_meas      1.31
_exptl_crystal_F_000             1888
_cod_data_source_file            mu0200.cif
_cod_data_source_block           mu0200a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2001096
Synthesis and structure of 3-fluorenyl-3-cobalta-1,2-dicarba-<i>closo</i>-nonaborane(11), 3-(η^5^-C~13~H~9~)-3,1,2-<i>closo</i>-CoC~2~B~9~H~11~
Lewis, Z. G.; Welch, A. J.; Acta Crystallographica Section C 48 (1992) 53–57; doi:10.1107/S0108270191009058

data_2001097
_publ_section_title
;
 Synthesis and structure of
 3-fluorenyl-3-cobalta-1,2-dicarba-<i>closo</i>-nonaborane(11),
 3-(\h^5^-C~13~H~9~)-3,1,2-<i>closo</i>-CoC~2~B~9~H~11~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              53
_journal_page_last               57
_journal_paper_doi               10.1107/S0108270191009058
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H20 B9 Co'
_chemical_formula_weight         356.55
_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                   8.759(3)
_cell_length_b                   13.037(3)
_cell_length_c                   15.366(4)
_cell_volume                     1754.7(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.94
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_F_000             728
_cod_data_source_file            mu0270.cif
_cod_data_source_block           mu0270a
_cod_original_cell_volume        1754.7(8)
_cod_original_formula_sum        'C15 H20 B9 Co1'
_cod_database_code               2001097
Metal-betaine interactions. XI. Structure of <i>catena</i>-[μ-dichloro-(triethylammonioacetato)cadmium(II)]
Chen, X.-M.; Mak, T. C. W.; Huang, W.-Y.; Lü, L.; Acta Crystallographica Section C 48 (1992) 57–59; doi:10.1107/S0108270191008363

data_2001098
_publ_section_title
;
 Metal-betaine interactions. XI. Structure of
 <i>catena</i>-[\m-dichloro-(triethylammonioacetato)cadmium(II)]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              57
_journal_page_last               59
_journal_paper_doi               10.1107/S0108270191008363
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H17 Cd Cl2 N O2'
_chemical_formula_weight         342.55
_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                 92.460(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.097(4)
_cell_length_b                   9.714(2)
_cell_length_c                   13.8450(10)
_cell_volume                     2431.6(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.21
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_density_meas      1.862
_exptl_crystal_F_000             1360
_cod_data_source_file            as0497.cif
_cod_data_source_block           as0497a
_cod_original_cell_volume        2431.1(7)
_cod_original_formula_sum        'C8 H17 Cd1 Cl2 N1 O2'
_cod_database_code               2001098
Structure of ethyl 5-methoxy-3-phenyl-2-indolecarboxylate
Chandrakantha, T. N.; Puttaraja; Nethaji, M.; Acta Crystallographica Section C 48 (1992) 60–62; doi:10.1107/S0108270191002913

data_2001099
_publ_section_title
;
 Structure of ethyl 5-methoxy-3-phenyl-2-indolecarboxylate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              60
_journal_page_last               62
_journal_paper_doi               10.1107/S0108270191002913
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H17 N O3'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.16(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.689(2)
_cell_length_b                   22.934(4)
_cell_length_c                   11.592(2)
_cell_volume                     3058.8(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.05
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_density_meas      1.30(5)
_exptl_crystal_F_000             1248
_cod_data_source_file            cr0281.cif
_cod_data_source_block           cr0281a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        3058.8(8)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C18 H17 N1 O3'
_cod_database_code               2001099
9-Oxobicyclo[3.3.1]nonane-1-carboxylic acid: structure and hydrogen-bonding pattern
Thompson, H. W.; Lalancette, R. A.; Vanderhoff, P. A.; Acta Crystallographica Section C 48 (1992) 66–70; doi:10.1107/S010827019100330X

data_2001100
_publ_section_title
;
 9-Oxobicyclo[3.3.1]nonane-1-carboxylic acid: structure and
 hydrogen-bonding pattern
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              66
_journal_page_last               70
_journal_paper_doi               10.1107/S010827019100330X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H14 O3'
_chemical_formula_weight         182.220
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.795(2)
_cell_length_b                   13.178(2)
_cell_length_c                   11.092(2)
_cell_volume                     1870.2(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.780
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_meas      1.260(10)
_exptl_crystal_F_000             784
_cod_data_source_file            cr0251.cif
_cod_data_source_block           cr0251a
_cod_original_cell_volume        1891.8(4)
_cod_database_code               2001100
Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.; Acta Crystallographica Section C 48 (1992) 70–73; doi:10.1107/S0108270191004456

data_2001101
_publ_section_title
;
 Structures of three
 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              70
_journal_page_last               73
_journal_paper_doi               10.1107/S0108270191004456
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H16 O4'
_chemical_formula_weight         200
_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                 96.270(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.2640(10)
_cell_length_b                   6.9880(10)
_cell_length_c                   18.2880(10)
_cell_volume                     1049.8(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.72
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_meas      1.271(5)
_exptl_crystal_F_000             432
_cod_data_source_file            an0328.cif
_cod_data_source_block           an0328a
_cod_original_cell_volume        1049.8(3)
_cod_database_code               2001101
Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.; Acta Crystallographica Section C 48 (1992) 70–73; doi:10.1107/S0108270191004456

data_2001102
_publ_section_title
;
 Structures of three
 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              70
_journal_page_last               73
_journal_paper_doi               10.1107/S0108270191004456
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H18 O5'
_chemical_formula_weight         290.3
_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                 91.370(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.7920(10)
_cell_length_b                   8.9370(10)
_cell_length_c                   13.0890(10)
_cell_volume                     1495.9(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.71
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_meas      1.292(5)
_exptl_crystal_F_000             616
_cod_data_source_file            an0328.cif
_cod_data_source_block           an0328b
_cod_database_code               2001102