LMucko/crystallography-open-database huggingface dataset:
On the Phase Relations and Structural and Magnetic Properties of the Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3
Karen, P.; Fjellvag, H.; Kjekshus, A.; Andresen, A. F.; Acta Chemica Scandinavica 45 (1991) 549–557; doi:10.3891/acta.chem.scand.45-0549

data_1559494
_publ_section_title
;
 On the Phase Relations and Structural and Magnetic Properties of the
 Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              549
_journal_page_last               557
_journal_paper_doi               10.3891/acta.chem.scand.45-0549
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C6 Mn23'
_chemical_formula_weight         1335.64
_chemical_name_common
;
Mn23C6
;
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.595(2)
_cell_length_b                   10.595(2)
_cell_length_c                   10.595(2)
_cell_volume                     1189.3(4)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.877
_exptl_crystal_density_diffrn    7.460
_pd_proc_ls_prof_R_factor        0.080
_refine_ls_R_I_factor            0.080
_cod_data_source_file            Acta-Chem-Scand-1991-45-549-3.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No thermal parameters, U values arbitrarily set to 0.02
No more details about the Rietveld refinements
;
_cod_original_cell_volume        1189.3(7)
_cod_database_code               1559494
Structure and Properties of Calcium Sulfate Sulfite Dodecahydrate
Mangio, Regina; Langer, Vratislav; Johansson, Lars-Gunnar; Acta Chemica Scandinavica 45 (1991) 572–577; doi:10.3891/acta.chem.scand.45-0572

data_1559495
_publ_section_title
;
 Structure and Properties of Calcium Sulfate Sulfite Dodecahydrate
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              572
_journal_page_last               577
_journal_paper_doi               10.3891/acta.chem.scand.45-0572
_journal_volume                  45
_journal_year                    1991
_chemical_formula_moiety         'O4 S, 2(O3 S), 12(H2 O), 3(Ca)'
_chemical_formula_sum            'Ca3 H24 O22 S3'
_chemical_formula_weight         592.60
_chemical_name_common
;
Calcium Sulfate Sulfite Dodecahydrate Ca3(SO4)(SO3)2.12H2O
;
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_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                   11.340(2)
_cell_length_b                   11.340(2)
_cell_length_c                   28.056(5)
_cell_volume                     3124.5(10)
_diffrn_ambient_temperature      153
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.16
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_F_000             1848
_refine_ls_number_reflns         519
_refine_ls_R_factor_gt           0.023
_refine_ls_wR_factor_gt          0.026
_cod_data_source_file            Acta-Chem-Scand-1991-45-572.cif
_cod_data_source_block           1
_cod_original_cell_volume        3124.5(14)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'H24 Ca3 O22 S3'
_cod_database_code               1559495
Further Examples of Tandem Dimerization Ring-Opening of Substituted 3-Bromothiophene 1,1-Dioxides. Preparation of Trisubstituted Benzenes. X-Ray Structure Determination of 3,5-Dibromo-7,7a-dimethyl-2,4-diphenyl- cis-3a,7a-dihydrobenzo[b]thiophene 1,1-Dioxide
Gronowitz, Salo; Nikitidis, Grigorios; Hallberg, Anders; Stalhandske, Claes; Acta Chemica Scandinavica 45 (1991) 636–643; doi:10.3891/acta.chem.scand.45-0636

data_1559500
_publ_section_title
;
 Further Examples of Tandem Dimerization Ring-Opening of Substituted
 3-Bromothiophene 1,1-Dioxides. Preparation of Trisubstituted Benzenes.
 X-Ray Structure Determination of 3,5-Dibromo-7,7a-dimethyl-2,4-diphenyl-
 cis-3a,7a-dihydrobenzo[b]thiophene 1,1-Dioxide
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              636
_journal_page_last               643
_journal_paper_doi               10.3891/acta.chem.scand.45-0636
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C22 H18 Br2 O2 S'
_chemical_formula_weight         506.24
_chemical_name_common
;
3,5-Dibromo-7,7a-dimethyl-2,4-diphenyl-cis-3a,7a-dihydrobenzo[b]thiophene 
1,1-Dioxide
;
_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_Int_Tables_number      14
_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                 112.49(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.613(3)
_cell_length_b                   18.460(4)
_cell_length_c                   11.438(2)
_cell_volume                     2070.5(9)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.99
_exptl_crystal_density_diffrn    1.62
_exptl_crystal_F_000             954
_refine_ls_number_reflns         1436
_refine_ls_R_factor_gt           0.037
_cod_data_source_file            Acta-Chem-Scand-1991-45-636.cif
_cod_data_source_block           1
_cod_original_cell_volume        2070.4(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1559500
Multicomponent Polyanions. 44. The Structure of Tetraguanidinium Dihydrogenpentamolybdodiphosphate Monohydrate
Lyxell, Dan-Goran; Strandberg, Rolf; Bostrom, Dan; Pettersson, Lage; Acta Chemica Scandinavica 45 (1991) 681–686; doi:10.3891/acta.chem.scand.45-0681

data_1559501
_publ_section_title
;
 Multicomponent Polyanions. 44. The Structure of Tetraguanidinium
 Dihydrogenpentamolybdodiphosphate Monohydrate
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              681
_journal_page_last               686
_journal_paper_doi               10.3891/acta.chem.scand.45-0681
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C4 H28 Mo5 N12 O24 P2'
_chemical_formula_weight         1170.0
_chemical_name_common
;
Tetraguanidinium Dihydrogenpentamolybdodiphosphate Monohydrate
[C(NH2)3]4H2Mo5P2O23.H2O
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 92.47(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   14.608(2)
_cell_length_b                   13.054(2)
_cell_length_c                   15.887(2)
_cell_volume                     3026.7(7)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.18
_exptl_crystal_density_diffrn    2.57
_exptl_crystal_F_000             2188
_refine_ls_number_parameters     443
_refine_ls_number_reflns         7011
_refine_ls_R_factor_gt           0.043
_refine_ls_wR_factor_gt          0.044
_cod_data_source_file            Acta-Chem-Scand-1991-45-681.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1559501
Re-examination of the Crystal Structure of ZrTe3
Furuseth, Sigrid; Fjellvag, Helmer; Acta Chemica Scandinavica 45 (1991) 694–697; doi:10.3891/acta.chem.scand.45-0694

data_1559502
_publ_section_title
;
 Re-examination of the Crystal Structure of ZrTe3
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              694
_journal_page_last               697
_journal_paper_doi               10.3891/acta.chem.scand.45-0694
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'Te3 Zr'
_chemical_formula_weight         474.024
_chemical_name_common
;
ZrTe3
;
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.
_cell_angle_beta                 97.93(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   5.8948(8)
_cell_length_b                   3.9264(6)
_cell_length_c                   10.104(2)
_cell_volume                     231.62(7)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    20.680
_exptl_crystal_density_diffrn    6.797
_exptl_crystal_F_000             392
_refine_ls_number_reflns         1136
_refine_ls_R_factor_gt           0.051
_refine_ls_wR_factor_gt          0.059
_cod_data_source_file            Acta-Chem-Scand-1991-45-694.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               1559502
The Crystal Structures of Three Precursors to Organic Donors Based on BEDT‒TTF
Larsen, Sine; Thorsteinsson, Thorstein; Bowadt, Soren; Hansen, Thomas K.; Varma, Karikath S.; Becher, Jan; Underhill, Allan E.; Acta Chemica Scandinavica 45 (1991) 709–715; doi:10.3891/acta.chem.scand.45-0709

data_1559503
_publ_section_title
;
 The Crystal Structures of Three Precursors to Organic Donors Based on
 BEDT--TTF
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              709
_journal_page_last               715
_journal_paper_doi               10.3891/acta.chem.scand.45-0709
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C5 H4 S5'
_chemical_formula_weight         224.41
_chemical_name_common
;
2,3-dihydro-1,3-dithiolo[4,5-e][1,4]dithiin-6-thione
;
_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_Int_Tables_number      14
_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                 93.03(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.600(2)
_cell_length_b                   5.7887(8)
_cell_length_c                   13.436(3)
_cell_volume                     823.3(3)
_diffrn_ambient_temperature      110
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.272
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_F_000             444
_refine_ls_goodness_of_fit_ref   1.4
_refine_ls_number_parameters     107
_refine_ls_number_reflns         2801
_refine_ls_R_factor_gt           0.030
_refine_ls_wR_factor_gt          0.037
_cod_data_source_file            Acta-chem-Scand-1991-45-709-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        823.3(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1559503
The Crystal Structures of Three Precursors to Organic Donors Based on BEDT‒TTF
Larsen, Sine; Thorsteinsson, Thorstein; Bowadt, Soren; Hansen, Thomas K.; Varma, Karikath S.; Becher, Jan; Underhill, Allan E.; Acta Chemica Scandinavica 45 (1991) 709–715; doi:10.3891/acta.chem.scand.45-0709

data_1559504
_publ_section_title
;
 The Crystal Structures of Three Precursors to Organic Donors Based on
 BEDT--TTF
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              709
_journal_page_last               715
_journal_paper_doi               10.3891/acta.chem.scand.45-0709
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C11 H6 O S5'
_chemical_formula_weight         314.49
_chemical_name_common
;
2,3-dihydro-2-oxo-3-phenyl-1,3-dithiolo[4,5-e][1,4]dithiin-6-thione
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 105.87(15)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.0792(13)
_cell_length_b                   6.059(2)
_cell_length_c                   20.578(5)
_cell_volume                     1208.8(10)
_diffrn_ambient_temperature      110
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.898
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_F_000             620
_refine_ls_goodness_of_fit_ref   1.3
_refine_ls_number_parameters     178
_refine_ls_number_reflns         2490
_refine_ls_R_factor_gt           0.031
_refine_ls_wR_factor_gt          0.041
_cod_data_source_file            Acta-chem-Scand-1991-45-709-2.cif
_cod_data_source_block           1
_cod_original_cell_volume        1208.9(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1559504
The Crystal Structures of Three Precursors to Organic Donors Based on BEDT‒TTF
Larsen, Sine; Thorsteinsson, Thorstein; Bowadt, Soren; Hansen, Thomas K.; Varma, Karikath S.; Becher, Jan; Underhill, Allan E.; Acta Chemica Scandinavica 45 (1991) 709–715; doi:10.3891/acta.chem.scand.45-0709

data_1559505
_publ_section_title
;
 The Crystal Structures of Three Precursors to Organic Donors Based on
 BEDT--TTF
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              709
_journal_page_last               715
_journal_paper_doi               10.3891/acta.chem.scand.45-0709
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C11 H8 O S4'
_chemical_formula_weight         284.44
_chemical_name_common
;
2,3-dihydro-2-phenyl-1,3-dithiolo[4,5-e][1,4]dithiin-6-thione
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_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                 96.85(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   15.735(3)
_cell_length_b                   9.1996(9)
_cell_length_c                   16.487(14)
_cell_volume                     2370(2)
_diffrn_ambient_temperature      110
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.744
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_F_000             1112
_refine_ls_goodness_of_fit_ref   1.9
_refine_ls_number_parameters     178
_refine_ls_number_reflns         3510
_refine_ls_R_factor_gt           0.044
_refine_ls_wR_factor_gt          0.063
_cod_data_source_file            Acta-chem-Scand-1991-45-709-3.cif
_cod_data_source_block           1
_cod_depositor_comments
;
atomic coordinates x for S3 clearly in error
changed from 0.50857 to 0.55857 (guessed but...)
;
_cod_original_cell_volume        2369.5(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1559505
Synthesis of DL-Statine and DL-4-Amino-3-hydroxy-4-phenylbutanoic Acids via the Isoxazoline Route
Halling, Karen; Torssell, Kurt B. G.; Hazell, Rita G.; Acta Chemica Scandinavica 45 (1991) 736–741; doi:10.3891/acta.chem.scand.45-0736

data_1559508
_publ_section_title
;
 Synthesis of DL-Statine and DL-4-Amino-3-hydroxy-4-phenylbutanoic Acids
 via the Isoxazoline Route
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              736
_journal_page_last               741
_journal_paper_doi               10.3891/acta.chem.scand.45-0736
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C13 H13 Cl3 N2 O3'
_chemical_formula_weight         351.612
_chemical_name_common
;
erythro-3-Methoxy-5-(alpha-trichloroacetamido)benzyl-2-isoxazoline
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 77.29(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.173(2)
_cell_length_b                   6.018(1)
_cell_length_c                   22.224(4)
_cell_volume                     1588.2(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.588
_exptl_crystal_density_diffrn    1.42
_exptl_crystal_F_000             720
_refine_ls_number_parameters     242
_refine_ls_number_reflns         1173
_refine_ls_R_factor_gt           0.046
_refine_ls_wR_factor_gt          0.048
_cod_data_source_file            Acta-Chem-Scand-1991-45-736.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1559508
X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product
Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki; Acta Chemica Scandinavica 45 (1991) 751–757; doi:10.3891/acta.chem.scand.45-0751

data_1559510
_publ_section_title
;
 X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one
 {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a
 Dehydrohalogenation Product
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              751
_journal_page_last               757
_journal_paper_doi               10.3891/acta.chem.scand.45-0751
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C10 H17 N O'
_chemical_formula_weight         167.25
_chemical_name_common
;
(+)-(Z)-fenchone oxime], 
(+)-(Z)-1,3,3-trimethyl-anti-7-chlorobicyclo[2.2.1]heptan-2-one oxime
;
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.
_cell_angle_beta                 100.64(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.219(2)
_cell_length_b                   11.250(1)
_cell_length_c                   14.475(1)
_cell_volume                     995.3(3)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.07
_exptl_crystal_density_diffrn    1.116
_exptl_crystal_F_000             368
_refine_ls_goodness_of_fit_ref   0.65
_refine_ls_number_parameters     217
_refine_ls_number_reflns         1333
_refine_ls_R_factor_gt           0.054
_refine_ls_wR_factor_gt          0.052
_cod_data_source_file            Acta-Chem-Scand-1991-45-751-1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1559510
X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product
Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki; Acta Chemica Scandinavica 45 (1991) 751–757; doi:10.3891/acta.chem.scand.45-0751

data_1559511
_publ_section_title
;
 X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one
 {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a
 Dehydrohalogenation Product
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              751
_journal_page_last               757
_journal_paper_doi               10.3891/acta.chem.scand.45-0751
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C10 H16 Cl N O'
_chemical_formula_weight         201.70
_chemical_name_common
;
(+)-(Z)-anti-7-chlorofenchone oxime], (+)-(Z)-1,3-dimethyl-exo-3-
chloromethylbicyclo[2.2.1]-heptan-2-one oxime
;
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_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            8
_cell_length_a                   6.307(1)
_cell_length_b                   8.142(1)
_cell_length_c                   42.546(15)
_cell_volume                     2184.8(9)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.31
_exptl_crystal_density_diffrn    1.226
_exptl_crystal_F_000             864
_refine_ls_goodness_of_fit_ref   1.60
_refine_ls_number_parameters     235
_refine_ls_number_reflns         1307
_refine_ls_R_factor_gt           0.056
_refine_ls_wR_factor_gt          0.082
_cod_data_source_file            Acta-Chem-Scand-1991-45-751-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2185(1)
_cod_database_code               1559511