LMucko/crystallography-open-database huggingface dataset:
Structure refinement of Al~3~Zr using single-crystal X-ray diffraction, powder neutron diffraction and CBED
Ma, Y.; Rømming, C.; Lebech, B.; Gjønnes, J.; Taftø, J.; Acta Crystallographica Section B 48 (1992) 11–16; doi:10.1107/S0108768191010467

data_2100752
_publ_section_title
;
 Structure refinement of Al~3~Zr using single-crystal X-ray
 diffraction, powder neutron diffraction and CBED
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              11
_journal_page_last               16
_journal_paper_doi               10.1107/S0108768191010467
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Al3 Zr'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0065(4)
_cell_length_b                   4.0065(4)
_cell_length_c                   17.284(3)
_cell_volume                     277.44(6)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.0867
_cod_data_source_file            ab0236.cif
_cod_data_source_block           ab0236b
_cod_original_cell_volume        277.44
_cod_original_formula_sum        'Al3 Zr1'
_cod_database_code               2100752
1-(2,3-Dideoxy-<i>erythro</i>-β-<small>D</small>-hexopyranosyl)cytosine: an example of the conformational and stacking properties of pyranosyl pyrimidine nucleosides. A crystallographic and computational approach
De Winter, H. L.; De Ranter, C. J.; Blaton, N. M.; Peeters, O. M.; Van Aerschot, A.; Herdewijn, P.; Acta Crystallographica Section B 48 (1992) 95–103; doi:10.1107/S0108768191010546

data_2100753
_publ_section_title
;
 1-(2,3-Dideoxy-<i>erythro</i>-\b-<small>D</small>-hexopyranosyl)cytosine:
 an example of the conformational and stacking properties of pyranosyl
 pyrimidine nucleosides. A crystallographic and computational approach
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              95
_journal_page_last               103
_journal_paper_doi               10.1107/S0108768191010546
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H15 N3 O4'
_chemical_formula_weight         241.25
_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                   7.4013(4)
_cell_length_b                   8.7563(5)
_cell_length_c                   17.3920(10)
_cell_volume                     1127.14(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.895
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_meas      1.42
_exptl_crystal_F_000             512
_cod_data_source_file            ge0271.cif
_cod_data_source_block           ge0271a
_cod_original_cell_volume        1127.10(10)
_cod_database_code               2100753
Crystallography of the even <i>n</i>-alkanes: structure of C~20~H~42~
Nyburg, S. C.; Gerson, A. R.; Acta Crystallographica Section B 48 (1992) 103–106; doi:10.1107/S0108768191011059

data_2100754
_publ_section_title
;
 Crystallography of the even <i>n</i>-alkanes: structure of C~20~H~42~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              103
_journal_page_last               106
_journal_paper_doi               10.1107/S0108768191011059
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H42'
_chemical_formula_weight         282.55
_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                85.3(3)
_cell_angle_beta                 68.20(10)
_cell_angle_gamma                72.60(10)
_cell_formula_units_Z            1
_cell_length_a                   4.293(5)
_cell_length_b                   4.840(10)
_cell_length_c                   27.35(9)
_cell_volume                     503(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.34
_exptl_crystal_density_diffrn    0.932
_exptl_crystal_F_000             162
_cod_data_source_file            li0091.cif
_cod_data_source_block           li0091a
_cod_original_cell_volume        503.2
_cod_database_code               2100754
Structure and twinning of Sr~3~CuPtO~6~
Hodeau, J.-L.; Tu, H. Y.; Bordet, P.; Fournier, T.; Strobel, P.; Marezio, M.; Chandrashekhar, G. V.; Acta Crystallographica Section B 48 (1992) 1–11; doi:10.1107/S0108768191010248

data_2100755
_publ_section_title
;
 Structure and twinning of Sr~3~CuPtO~6~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               11
_journal_paper_doi               10.1107/S0108768191010248
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cu O6 Pt Sr3'
_chemical_formula_weight         617.49
_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                 91.95(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.317(4)
_cell_length_b                   9.720(4)
_cell_length_c                   6.685(3)
_cell_volume                     605.1(8)
_diffrn_radiation_type           Ag
_diffrn_radiation_wavelength     0.5608
_exptl_absorpt_coefficient_mu    28.21
_exptl_crystal_density_diffrn    6.778
_exptl_crystal_F_000             1076
_cod_data_source_file            pa0212.cif
_cod_original_formula_sum        'Cu1 O6 Pt1 Sr3'
_cod_database_code               2100755
_cod_duplicate_entry 1008498
Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K
Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I.; Acta Crystallographica Section B 48 (1992) 166–172; doi:10.1107/S0108768191013538

data_2100756
_publ_section_title
;
 Structural instabilities of the trigonally coordinated water molecules
 in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and
 neutron diffraction at 25 and 295 K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              166
_journal_page_last               172
_journal_paper_doi               10.1107/S0108768191013538
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba H2 I2 O7'
_chemical_formula_weight         505.16
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2yab'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.130(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0480(10)
_cell_length_b                   7.987(2)
_cell_length_c                   9.9110(10)
_cell_volume                     715.7(2)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.270
_exptl_absorpt_coefficient_mu    0.0067
_exptl_crystal_density_diffrn    4.69
_exptl_crystal_F_000             195.85
_cod_data_source_file            ab0254.cif
_cod_data_source_block           ab0254a
_cod_original_cell_volume        715.70(10)
_cod_database_code               2100756
Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K
Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I.; Acta Crystallographica Section B 48 (1992) 166–172; doi:10.1107/S0108768191013538

data_2100757
_publ_section_title
;
 Structural instabilities of the trigonally coordinated water molecules
 in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and
 neutron diffraction at 25 and 295 K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              166
_journal_page_last               172
_journal_paper_doi               10.1107/S0108768191013538
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba H2 I2 O7'
_chemical_formula_weight         505.16
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2yab'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.18(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.022(5)
_cell_length_b                   7.937(4)
_cell_length_c                   9.867(6)
_cell_volume                     706.0(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    14.35
_exptl_crystal_density_diffrn    4.75
_exptl_crystal_F_000             880
_cod_data_source_file            ab0254.cif
_cod_data_source_block           ab0254b
_cod_original_cell_volume        706.0(5)
_cod_database_code               2100757
Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K
Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I.; Acta Crystallographica Section B 48 (1992) 166–172; doi:10.1107/S0108768191013538

data_2100758
_publ_section_title
;
 Structural instabilities of the trigonally coordinated water molecules
 in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and
 neutron diffraction at 25 and 295 K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              166
_journal_page_last               172
_journal_paper_doi               10.1107/S0108768191013538
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl2 H2 O7 Pb'
_chemical_formula_weight         392.11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2yab'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.130(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8110(10)
_cell_length_b                   7.7440(10)
_cell_length_c                   9.1310(10)
_cell_volume                     622.10(10)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.238
_exptl_absorpt_coefficient_mu    0.0131
_exptl_crystal_density_diffrn    4.19
_exptl_crystal_F_000             246.79
_cod_data_source_file            ab0254.cif
_cod_original_formula_sum        'Cl2 H2 O7 Pb1'
_cod_database_code               2100758
Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K
Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I.; Acta Crystallographica Section B 48 (1992) 166–172; doi:10.1107/S0108768191013538

data_2100759
_publ_section_title
;
 Structural instabilities of the trigonally coordinated water molecules
 in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and
 neutron diffraction at 25 and 295 K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              166
_journal_page_last               172
_journal_paper_doi               10.1107/S0108768191013538
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl2 H2 O7 Pb'
_chemical_formula_weight         392.11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2yab'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.130(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8110(10)
_cell_length_b                   7.7440(10)
_cell_length_c                   9.1310(10)
_cell_volume                     622.10(10)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.238
_exptl_absorpt_coefficient_mu    0.0131
_exptl_crystal_density_diffrn    4.19
_exptl_crystal_F_000             246.79
_cod_data_source_file            ab0254.cif
_cod_original_formula_sum        'Cl2 H2 O7 Pb1'
_cod_database_code               2100759
Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K
Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I.; Acta Crystallographica Section B 48 (1992) 166–172; doi:10.1107/S0108768191013538

data_2100760
_publ_section_title
;
 Structural instabilities of the trigonally coordinated water molecules
 in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and
 neutron diffraction at 25 and 295 K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              166
_journal_page_last               172
_journal_paper_doi               10.1107/S0108768191013538
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl2 H2 O7 Pb'
_chemical_formula_weight         392.11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2yab'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.450(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7550(10)
_cell_length_b                   7.6970(10)
_cell_length_c                   9.1300(10)
_cell_volume                     614.13(13)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.215
_exptl_absorpt_coefficient_mu    0.0133
_exptl_crystal_density_diffrn    4.24
_exptl_crystal_F_000             246.79
_cod_data_source_file            ab0254.cif
_cod_data_source_block           ab0254e
_cod_original_cell_volume        614.10(10)
_cod_original_formula_sum        'Cl2 H2 O7 Pb1'
_cod_database_code               2100760
Charge density around a Jahn-Teller-distorted site: (ND~4~)~2~Cu(SO~4~)~2~.6D~2~O at 85 K
Figgis, B. N.; Khor, L.; Kucharski, E. S.; Reynolds, P. A.; Acta Crystallographica Section B 48 (1992) 144–151; doi:10.1107/S010876819101323X

data_2100761
_publ_section_title
;
 Charge density around a Jahn-Teller-distorted site:
 (ND~4~)~2~Cu(SO~4~)~2~.6D~2~O at 85 K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              144
_journal_page_last               151
_journal_paper_doi               10.1107/S010876819101323X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cu D20 N2 O14 S2'
_chemical_formula_weight         419.7
_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                 107.130(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.399(2)
_cell_length_b                   12.673(2)
_cell_length_c                   6.0710(10)
_cell_volume                     691.1(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.008
_exptl_crystal_density_diffrn    2.02
_exptl_crystal_F_000             415.3
_cod_data_source_file            al0504.cif
_cod_data_source_block           al0504a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17

 Correcting the summary chemical formula by changing it from 'Cu D20 N4 O14 S2'
 to 'Cu D20 N2 O14 S2'.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_cell_volume        691.1(4)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'Cu1 D20 N4 O14 S2'
_cod_database_code               2100761
Structure of the bromohydrin of an octahydronaphthalene derivative
Fallon, G. D.; Gatehouse, B. M.; Middleton, S.; Vanni, S. P.; Acta Crystallographica Section B 48 (1992) 227–230; doi:10.1107/S0108768191013812

data_2100762
_publ_section_title
;
 Structure of the bromohydrin of an octahydronaphthalene derivative
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              227
_journal_page_last               230
_journal_paper_doi               10.1107/S0108768191013812
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C11 H19 Br O'
_chemical_formula_weight         247.2
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.146(6)
_cell_length_b                   14.146(6)
_cell_length_c                   11.910(8)
_cell_volume                     2383(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.38
_exptl_crystal_density_diffrn    1.38
_exptl_crystal_density_meas      1.37(2)
_exptl_crystal_F_000             1024
_cod_data_source_file            al0506.cif
_cod_data_source_block           al0506a
_cod_original_formula_sum        'C11 H19 Br1 O1'
_cod_database_code               2100762
Relationship of three-dimensional structure of muscarinic antagonists to antimuscarinic activity: structure of thiodeacylaprophen hydrochloride
Karle, J. M.; Karle, I. L.; Gordon, R. K.; Chiang, P. K.; Acta Crystallographica Section B 48 (1992) 208–213; doi:10.1107/S0108768191013149

data_2100763
_publ_section_title
;
 Relationship of three-dimensional structure of muscarinic antagonists
 to antimuscarinic activity: structure of thiodeacylaprophen
 hydrochloride
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              208
_journal_page_last               213
_journal_paper_doi               10.1107/S0108768191013149
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H28 Cl N S'
_chemical_formula_weight         349.9
_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                   8.933(2)
_cell_length_b                   11.710(3)
_cell_length_c                   18.934(4)
_cell_volume                     1980.6(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    2.670
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_F_000             752
_cod_data_source_file            cr0350.cif
_cod_data_source_block           cr0350a
_cod_original_cell_volume        1980.6(7)
_cod_original_formula_sum        'C20 H28 Cl1 N1 S1'
_cod_database_code               2100763
Synthesis and structure of new bronchospasmolytic agents. I
Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Gregoire, B.; Mouaddib, A.; Caubère, P.; Acta Crystallographica Section B 48 (1992) 178–185; doi:10.1107/S0108768191011771

data_2100764
_publ_section_title
;
 Synthesis and structure of new bronchospasmolytic agents. I
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              178
_journal_page_last               185
_journal_paper_doi               10.1107/S0108768191011771
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C15 H19 N1 O2'
_chemical_formula_sum            'C15 H19 N O2'
_chemical_formula_weight         245.3
_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                95.14(10)
_cell_angle_beta                 108.49(12)
_cell_angle_gamma                114.69(5)
_cell_formula_units_Z            4
_cell_length_a                   10.360(5)
_cell_length_b                   12.169(5)
_cell_length_c                   12.488(4)
_cell_volume                     1310.8(19)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    0.618
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_F_000             528
_cod_data_source_file            ge0284.cif
_cod_data_source_block           ge0284a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1311(2)
_cod_original_formula_sum        'C15 H19 N1 O2'
_cod_database_code               2100764
Synthesis and structure of new bronchospasmolytic agents. I
Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Gregoire, B.; Mouaddib, A.; Caubère, P.; Acta Crystallographica Section B 48 (1992) 178–185; doi:10.1107/S0108768191011771

data_2100765
_publ_section_title
;
 Synthesis and structure of new bronchospasmolytic agents. I
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              178
_journal_page_last               185
_journal_paper_doi               10.1107/S0108768191011771
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C17 H25 N1 O2,H2 O1'
_chemical_formula_sum            'C17 H27 N O3'
_chemical_formula_weight         293.4
_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                 110.560(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.063(9)
_cell_length_b                   19.398(5)
_cell_length_c                   8.670(5)
_cell_volume                     1584.6(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    0.0778
_exptl_crystal_density_diffrn    1.230
_exptl_crystal_F_000             640
_cod_data_source_file            ge0284.cif
_cod_data_source_block           ge0284b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-18
;
_cod_original_cell_volume        1585(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C17 H27 N1 O3'
_cod_database_code               2100765