LMucko/crystallography-open-database huggingface dataset:
Bond length and reactivity. Structures of the triphenylmethyl ether and the 4-nitrobenzoate ester of <i>anti</i>-7-norbornenol
Jones, P. G.; Kirby, A. J.; Percy, J. M.; Acta Crystallographica Section C 48 (1992) 829–832; doi:10.1107/S0108270191012155

data_2000875
_publ_section_title
;
 Bond length and reactivity. Structures of the triphenylmethyl ether
 and the 4-nitrobenzoate ester of <i>anti</i>-7-norbornenol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              829
_journal_page_last               832
_journal_paper_doi               10.1107/S0108270191012155
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H13 N O4'
_chemical_formula_weight         259.26
_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                 94.875(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3638(12)
_cell_length_b                   10.4685(10)
_cell_length_c                   12.827(2)
_cell_volume                     1252.8(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_F_000             544
_cod_data_source_file            ha0050.cif
_cod_data_source_block           ha0050b
_cod_original_cell_volume        1252.8
_cod_original_formula_sum        'C14 H13 N1 O4'
_cod_database_code               2000875
Bond length and reactivity. Structure of 2-phenylethyl <i>p</i>-toluenesulfonate
Kirby, A. J.; Parker, J. K.; Raithby, P. R.; Acta Crystallographica Section C 48 (1992) 832–834; doi:10.1107/S0108270191012167

data_2000876
_publ_section_title
;
 Bond length and reactivity. Structure of 2-phenylethyl
 <i>p</i>-toluenesulfonate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              832
_journal_page_last               834
_journal_paper_doi               10.1107/S0108270191012167
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H16 O3 S'
_chemical_formula_weight         276.35
_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                94.440(10)
_cell_angle_beta                 89.810(10)
_cell_angle_gamma                105.510(10)
_cell_formula_units_Z            4
_cell_length_a                   7.3530(10)
_cell_length_b                   8.1360(10)
_cell_length_c                   24.307(4)
_cell_volume                     1396.8(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    2.02
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_F_000             584
_cod_data_source_file            ha0051.cif
_cod_data_source_block           ha0051a
_cod_original_formula_sum        'C15 H16 O3 S1'
_cod_database_code               2000876
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrophenyl ether and the 4-nitrobenzoate ester of 2-fluoro-2-phenylethanol
Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 835–837; doi:10.1107/S0108270191012179

data_2000877
_publ_section_title
;
 Bond length and reactivity. The effect of \b-fluorine. Structures of
 the 4-nitrophenyl ether and the 4-nitrobenzoate ester of
 2-fluoro-2-phenylethanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              835
_journal_page_last               837
_journal_paper_doi               10.1107/S0108270191012179
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H12 F N O3'
_chemical_formula_weight         261.25
_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                 90.78(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3330(16)
_cell_length_b                   5.5554(16)
_cell_length_c                   27.182(7)
_cell_volume                     1258.2(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_F_000             544
_cod_data_source_file            ha0052.cif
_cod_data_source_block           ha0052a
_cod_original_cell_volume        1258.2
_cod_original_formula_sum        'C14 H12 F1 N1 O3'
_cod_database_code               2000877
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrophenyl ether and the 4-nitrobenzoate ester of 2-fluoro-2-phenylethanol
Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 835–837; doi:10.1107/S0108270191012179

data_2000878
_publ_section_title
;
 Bond length and reactivity. The effect of \b-fluorine. Structures of
 the 4-nitrophenyl ether and the 4-nitrobenzoate ester of
 2-fluoro-2-phenylethanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              835
_journal_page_last               837
_journal_paper_doi               10.1107/S0108270191012179
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H12 F N O4'
_chemical_formula_weight         289.26
_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                   6.0219(8)
_cell_length_b                   14.8748(14)
_cell_length_c                   15.1877(16)
_cell_volume                     1360.4(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54179
_exptl_absorpt_coefficient_mu    0.91
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_F_000             600
_cod_data_source_file            ha0052.cif
_cod_data_source_block           ha0052b
_cod_original_cell_volume        1360.4
_cod_original_formula_sum        'C15 H12 F1 N1 O4'
_cod_database_code               2000878
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol
Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 838–841; doi:10.1107/S0108270191012180

data_2000879
_publ_section_title
;
 Bond length and reactivity. The effect of \b-fluorine. Structures of
 the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of
 2-fluoro-2-phenylethanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              838
_journal_page_last               841
_journal_paper_doi               10.1107/S0108270191012180
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H15 F O3 S'
_chemical_formula_weight         294.35
_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                 99.46(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.941(3)
_cell_length_b                   7.871(3)
_cell_length_c                   15.688(3)
_cell_volume                     1454.4(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54179
_exptl_absorpt_coefficient_mu    2.1
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_F_000             616
_cod_data_source_file            ha0053.cif
_cod_data_source_block           ha0053a
_cod_original_cell_volume        1454.5
_cod_original_formula_sum        'C15 H15 F1 O3 S1'
_cod_database_code               2000879
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol
Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 838–841; doi:10.1107/S0108270191012180

data_2000880
_publ_section_title
;
 Bond length and reactivity. The effect of \b-fluorine. Structures of
 the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of
 2-fluoro-2-phenylethanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              838
_journal_page_last               841
_journal_paper_doi               10.1107/S0108270191012180
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H12 Cl F O3 S'
_chemical_formula_weight         314.75
_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                 98.90(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.079(4)
_cell_length_b                   7.870(3)
_cell_length_c                   15.337(4)
_cell_volume                     1440.4(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.42
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_F_000             648
_cod_data_source_file            ha0053.cif
_cod_data_source_block           ha0053b
_cod_original_cell_volume        1440.5
_cod_original_formula_sum        'C14 H12 Cl1 F1 O3 S1'
_cod_database_code               2000880
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol
Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 838–841; doi:10.1107/S0108270191012180

data_2000881
_publ_section_title
;
 Bond length and reactivity. The effect of \b-fluorine. Structures of
 the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of
 2-fluoro-2-phenylethanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              838
_journal_page_last               841
_journal_paper_doi               10.1107/S0108270191012180
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H12 F N O5 S'
_chemical_formula_weight         325.31
_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                 91.35(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7308(8)
_cell_length_b                   24.877(5)
_cell_length_c                   10.1784(14)
_cell_volume                     1450.7(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.25
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_F_000             672
_cod_data_source_file            ha0053.cif
_cod_data_source_block           ha0053c
_cod_original_cell_volume        1450.7
_cod_original_formula_sum        'C14 H12 F1 N1 O5 S1'
_cod_database_code               2000881
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and 2,2,2-trifluoroethanol
Jones, P. G.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 841–844; doi:10.1107/S0108270191012192

data_2000882
_publ_section_title
;
 Bond length and reactivity. The effect of \b-fluorine. Structures of
 the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and
 2,2,2-trifluoroethanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              841
_journal_page_last               844
_journal_paper_doi               10.1107/S0108270191012192
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H8 F N O5 S'
_chemical_formula_weight         249.22
_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                 96.60(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.842(2)
_cell_length_b                   8.666(3)
_cell_length_c                   20.361(6)
_cell_volume                     1024.0(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.32
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_F_000             512
_cod_data_source_file            ha0054.cif
_cod_data_source_block           ha0054a
_cod_original_cell_volume        1024.0
_cod_original_formula_sum        'C8 H8 F1 N1 O5 S1'
_cod_database_code               2000882
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and 2,2,2-trifluoroethanol
Jones, P. G.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 841–844; doi:10.1107/S0108270191012192

data_2000883
_publ_section_title
;
 Bond length and reactivity. The effect of \b-fluorine. Structures of
 the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and
 2,2,2-trifluoroethanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              841
_journal_page_last               844
_journal_paper_doi               10.1107/S0108270191012192
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H6 F3 N O5 S'
_chemical_formula_weight         285.20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2568(9)
_cell_length_b                   5.7559(9)
_cell_length_c                   36.385(7)
_cell_volume                     1100.9(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.34
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_F_000             576
_cod_data_source_file            ha0054.cif
_cod_data_source_block           ha0054b
_cod_original_cell_volume        1100.9
_cod_original_formula_sum        'C8 H6 F3 N1 O5 S1'
_cod_database_code               2000883
Bond length and reactivity. Structures of the 4-phenylbenzoate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
Jones, P. G.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 844–847; doi:10.1107/S0108270191012209

data_2000884
_publ_section_title
;
 Bond length and reactivity. Structures of the 4-phenylbenzoate esters
 of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              844
_journal_page_last               847
_journal_paper_doi               10.1107/S0108270191012209
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C23 H28 O2'
_chemical_formula_weight         336.48
_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                 92.64(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.376(2)
_cell_length_b                   14.317(7)
_cell_length_c                   21.792(8)
_cell_volume                     1987.2(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.07
_exptl_crystal_density_diffrn    1.125
_exptl_crystal_F_000             728
_cod_data_source_file            ha0055.cif
_cod_data_source_block           ha0055a
_cod_original_cell_volume        1987
_cod_database_code               2000884
Bond length and reactivity. Structures of the 4-phenylbenzoate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
Jones, P. G.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 844–847; doi:10.1107/S0108270191012209

data_2000885
_publ_section_title
;
 Bond length and reactivity. Structures of the 4-phenylbenzoate esters
 of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              844
_journal_page_last               847
_journal_paper_doi               10.1107/S0108270191012209
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C23 H28 O2'
_chemical_formula_weight         336.48
_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                 102.66(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.951(2)
_cell_length_b                   10.836(2)
_cell_length_c                   14.022(2)
_cell_volume                     1920.0(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.07
_exptl_crystal_density_diffrn    1.164
_exptl_crystal_F_000             728
_cod_data_source_file            ha0055.cif
_cod_data_source_block           ha0055b
_cod_original_cell_volume        1920.1
_cod_database_code               2000885
Bond length and reactivity. Structure of the 4-phenylbenzoate ester of <i>trans</i>-3-<i>tert</i>-butylcyclohexanol
Jones, P. G.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 847–849; doi:10.1107/S0108270191012210

data_2000886
_publ_section_title
;
 Bond length and reactivity. Structure of the 4-phenylbenzoate ester of
 <i>trans</i>-3-<i>tert</i>-butylcyclohexanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              847
_journal_page_last               849
_journal_paper_doi               10.1107/S0108270191012210
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C23 H28 O2'
_chemical_formula_weight         336.48
_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                 100.61(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.921(2)
_cell_length_b                   11.408(3)
_cell_length_c                   12.591(3)
_cell_volume                     1965.4(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.07
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_F_000             728
_cod_data_source_file            ha0056.cif
_cod_data_source_block           ha0056a
_cod_original_cell_volume        1965.4
_cod_database_code               2000886
Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
Jones, P. G.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 849–851; doi:10.1107/S0108270191012222

data_2000887
_publ_section_title
;
 Bond length and reactivity. Structures of the methanesulfonate esters
 of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              849
_journal_page_last               851
_journal_paper_doi               10.1107/S0108270191012222
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C11 H22 O3 S'
_chemical_formula_weight         234.35
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.424(5)
_cell_length_b                   17.177(9)
_cell_length_c                   8.321(3)
_cell_volume                     1347.0(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.22
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_F_000             512
_cod_data_source_file            ha0057.cif
_cod_data_source_block           ha0057a
_cod_original_cell_volume        1347
_cod_original_formula_sum        'C11 H22 O3 S1'
_cod_database_code               2000887
Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
Jones, P. G.; Kirby, A. J.; Parker, J. K.; Acta Crystallographica Section C 48 (1992) 849–851; doi:10.1107/S0108270191012222

data_2000888
_publ_section_title
;
 Bond length and reactivity. Structures of the methanesulfonate esters
 of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              849
_journal_page_last               851
_journal_paper_doi               10.1107/S0108270191012222
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C11 H22 O3 S'
_chemical_formula_weight         234.35
_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                 94.944(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.081(3)
_cell_length_b                   6.0693(6)
_cell_length_c                   10.3058(16)
_cell_volume                     1313.7(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.22
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_F_000             728
_cod_data_source_file            ha0057.cif
_cod_data_source_block           ha0057b
_cod_original_cell_volume        1313.7
_cod_original_formula_sum        'C11 H22 O3 S1'
_cod_database_code               2000888