LMucko/crystallography-open-database huggingface dataset:
Structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiazonia-18-crown-6 with PF^{-^}~6~ and I^{-^} as the counterions
Suwińska, K.; Acta Crystallographica Section C 48 (1992) 1234–1237; doi:10.1107/S0108270191013690

data_2000753
_publ_section_title
;
 Structure of
 <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiazonia-18-crown-6
 with PF^{-^}~6~ and I^{-^} as the counterions
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1234
_journal_page_last               1237
_journal_paper_doi               10.1107/S0108270191013690
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C16 H36 N2 O4,2(F6 P1)'
_chemical_formula_sum            'C16 H36 F12 N2 O4 P2'
_chemical_formula_weight         610.4
_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                 104.24(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7000(10)
_cell_length_b                   20.911(9)
_cell_length_c                   9.609(2)
_cell_volume                     1304.9(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    2.5843
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_F_000             632
_cod_data_source_file            ge0275.cif
_cod_data_source_block           ge0275a
_cod_original_cell_volume        1305.0(10)
_cod_database_code               2000753
Structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiazonia-18-crown-6 with PF^{-^}~6~ and I^{-^} as the counterions
Suwińska, K.; Acta Crystallographica Section C 48 (1992) 1234–1237; doi:10.1107/S0108270191013690

data_2000754
_publ_section_title
;
 Structure of
 <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiazonia-18-crown-6
 with PF^{-^}~6~ and I^{-^} as the counterions
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1234
_journal_page_last               1237
_journal_paper_doi               10.1107/S0108270191013690
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C16 H36 N2 O4,I2'
_chemical_formula_sum            'C16 H36 I2 N2 O4'
_chemical_formula_weight         574.3
_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                 106.63(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.4820(10)
_cell_length_b                   16.932(2)
_cell_length_c                   10.8710(10)
_cell_volume                     1143.2(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71078
_exptl_absorpt_coefficient_mu    2.7393
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_F_000             568
_cod_data_source_file            ge0275.cif
_cod_data_source_block           ge0275b
_cod_original_cell_volume        1143.3(5)
_cod_database_code               2000754
Structure of benzo-1,2,3,4-tetrazine 1,3-dioxide
Yamaguchi, K.; Takahashi, H.; Kaihoh, T.; Itoh, T.; Okada, M.; Nagata, K.; Matsumura, G.; Ohsawa, A.; Acta Crystallographica Section C 48 (1992) 1237–1239; doi:10.1107/S0108270191013781

data_2000755
_publ_section_title
;
 Structure of benzo-1,2,3,4-tetrazine 1,3-dioxide
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1237
_journal_page_last               1239
_journal_paper_doi               10.1107/S0108270191013781
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C6 H4 N4 O2'
_chemical_formula_weight         164.12
_chemical_name_systematic        2,4-dioxido-1,2,3,4-benzotetrazine-2,4-diium
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2bc 2ac'
_space_group_name_H-M_alt        'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.6020(10)
_cell_length_b                   14.477(2)
_cell_length_c                   6.9690(10)
_cell_volume                     1372.3(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54050
_exptl_absorpt_coefficient_mu    1.025
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_F_000             672
_cod_data_source_file            as0556.cif
_cod_data_source_block           as0556a
_cod_database_code               2000755
Structure of <i>N</i>-benzyl-3-benzylidene-4-methyl-4-nitro-5-phenyl-2-pyrrolidinone
Mostafa, G.; Mukherjee, M.; Ray, S.; Acta Crystallographica Section C 48 (1992) 1241–1243; doi:10.1107/S0108270191013975

data_2000756
_publ_section_title
;
 Structure of
 <i>N</i>-benzyl-3-benzylidene-4-methyl-4-nitro-5-phenyl-2-pyrrolidinone
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1241
_journal_page_last               1243
_journal_paper_doi               10.1107/S0108270191013975
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C25 H22 N2 O3'
_chemical_formula_weight         398.47
_chemical_name_systematic
;
 N-benzyl-3-benzylidene-4-methyl-4-nitro-5-phenyl-2-pyrrolidinone
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2ab'
_space_group_name_H-M_alt        'P b n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.385(4)
_cell_length_b                   12.314(4)
_cell_length_c                   18.573(6)
_cell_volume                     2146.4(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.047
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_meas      1.237
_exptl_crystal_F_000             840
_cod_data_source_file            he0036.cif
_cod_data_source_block           he0036a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        2146.42
_cod_database_code               2000756
Structure of 6-benzyl-5-(3,4-dimethoxybenzyl)-3-methyl-5,6,7,8-tetrahydro-3<i>H</i>-oxazolo[5,4-<i>g</i>]isoquinolin-2-one
Warin, V.; Lamiot, J.; Baert, F.; Ait Mansour, H.; Houssin, R.; Lesieur, D.; Acta Crystallographica Section C 48 (1992) 1243–1246; doi:10.1107/S0108270191013720

data_2000757
_publ_section_title
;Structure of
 6-benzyl-5-(3,4-dimethoxybenzyl)-3-methyl-5,6,7,8-tetrahydro-3<i>H</i>-oxazolo[5,4-<i>g</i>]isoquinolin-2-one
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1243
_journal_page_last               1246
_journal_paper_doi               10.1107/S0108270191013720
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C27 H28 N2 O4'
_chemical_formula_weight         444.5
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.290(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.961(5)
_cell_length_b                   11.863(6)
_cell_length_c                   24.873(8)
_cell_volume                     2347(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.049
_exptl_crystal_density_diffrn    1.26
_exptl_crystal_F_000             944
_cod_data_source_file            pa0228.cif
_cod_data_source_block           pa0228a
_cod_original_cell_volume        2347.16
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000757
Structure of 6-(<i>tert</i>-butylimino)-4,4,5,5-tetracyano-3-(1-phenylethylidene)-1-(trimethylsilyl)cyclohex-1-ene
Whitby, R. J.; Webster, M.; Dennehy, R. D.; Acta Crystallographica Section C 48 (1992) 1252–1253; doi:10.1107/S0108270191014464

data_2000758
_publ_section_title
;Structure of
 6-(<i>tert</i>-butylimino)-4,4,5,5-tetracyano-3-(1-phenylethylidene)-1-(trimethylsilyl)cyclohex-1-ene
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1252
_journal_page_last               1253
_journal_paper_doi               10.1107/S0108270191014464
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C25 H27 N5 Si'
_chemical_formula_weight         425.61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.454(3)
_cell_length_b                   17.353(3)
_cell_length_c                   17.6740(10)
_cell_volume                     5046.4(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.083
_exptl_crystal_density_diffrn    1.120
_exptl_crystal_density_meas      1.11(2)
_exptl_crystal_F_000             1808
_cod_data_source_file            ha0095.cif
_cod_data_source_block           ha0095a
_cod_original_cell_volume        5046.4
_cod_original_formula_sum        'C25 H27 N5 Si1'
_cod_database_code               2000758
Complexes of the `proton sponge' 1,8-bis(dimethylamino)naphthalene (DMAN). IV. Structure of [DMANH]~2~^+^.[squarate]^2{-^} tetrahydrate at 100 K
Kanters, J. A.; Schouten, A.; Kroon, J.; Grech, E.; Acta Crystallographica Section C 48 (1992) 1254–1257; doi:10.1107/S0108270191014348

data_2000759
_publ_section_title
;
 Complexes of the `proton sponge' 1,8-bis(dimethylamino)naphthalene
 (DMAN). IV. Structure of [DMANH]~2~^+^.[squarate]^2{-^} tetrahydrate
 at 100 K
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1254
_journal_page_last               1257
_journal_paper_doi               10.1107/S0108270191014348
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C14 H19 N2),C4 O4,4(H2 O1)'
_chemical_formula_sum            'C32 H46 N4 O8'
_chemical_formula_weight         614.74
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2191(4)
_cell_length_b                   15.9824(5)
_cell_length_c                   17.7311(7)
_cell_volume                     3179.3(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_F_000             1320
_cod_data_source_file            ge0295.cif
_cod_data_source_block           ge0295a
_cod_database_code               2000759
Structure of 3-benzoyl-4-methyl-1-phenyl-1,2,3,4-tetrahydro-5<i>H</i>-indeno[1,2-<i>b</i>]pyridine-2,5-dione
Hursthouse, M. B.; Karaulov, A. I.; Ciechanowicz-Rutkowska, M.; Kolasa, A.; Zankowska-Jasińska, W.; Acta Crystallographica Section C 48 (1992) 1257–1260; doi:10.1107/S0108270191014476

data_2000760
_publ_section_title
;Structure of
 3-benzoyl-4-methyl-1-phenyl-1,2,3,4-tetrahydro-5<i>H</i>-indeno[1,2-<i>b</i>]pyridine-2,5-dione
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1257
_journal_page_last               1260
_journal_paper_doi               10.1107/S0108270191014476
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C26 H19 N O3'
_chemical_formula_weight         393.442
_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                107.73(3)
_cell_angle_beta                 94.96(5)
_cell_angle_gamma                112.51(3)
_cell_formula_units_Z            2
_cell_length_a                   8.6300(10)
_cell_length_b                   9.908(4)
_cell_length_c                   13.549(16)
_cell_volume                     991.9(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.080
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_meas      1.30
_exptl_crystal_F_000             412
_cod_data_source_file            ha0079.cif
_cod_data_source_block           ha0079a
_cod_original_cell_volume        991.85
_cod_original_formula_sum        'C26 H19 N1 O3'
_cod_database_code               2000760
Structure of 4-bromopyrazabole
Hodgkins, T. G.; Powell, D. R.; Acta Crystallographica Section C 48 (1992) 1260–1262; doi:10.1107/S0108270191013872

data_2000761
_publ_section_title
;
 Structure of 4-bromopyrazabole
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1260
_journal_page_last               1262
_journal_paper_doi               10.1107/S0108270191013872
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C6 H9 B2 Br N4'
_chemical_formula_weight         238.7
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.50(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.756(2)
_cell_length_b                   13.012(4)
_cell_length_c                   10.931(4)
_cell_volume                     960.6(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    5.51
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_F_000             472
_cod_data_source_file            cr0390.cif
_cod_data_source_block           cr0390a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C6 H9 B2 Br1 N4'
_cod_database_code               2000761
Structure of 1-morpholinoanthraquinone at 110 K
Kaufmann, M.; Berger, D.; Härter, R.; Hirschi, D.; Bürgi, H.-B.; Raselli, A.; Röhr, C.; Acta Crystallographica Section C 48 (1992) 1262–1265; doi:10.1107/S0108270191014336

data_2000762
_publ_section_title
;
 Structure of 1-morpholinoanthraquinone at 110 K
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1262
_journal_page_last               1265
_journal_paper_doi               10.1107/S0108270191014336
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H15 N O3'
_chemical_formula_weight         293.3
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.170(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.456(2)
_cell_length_b                   6.735(4)
_cell_length_c                   16.135(3)
_cell_volume                     1352.6(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.090
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_meas      1.380
_exptl_crystal_F_000             616
_cod_data_source_file            ge0291.cif
_cod_data_source_block           ge0291a
_cod_original_cell_volume        1353
_cod_original_formula_sum        'C18 H15 N1 O3'
_cod_database_code               2000762
Structure of <i>meso</i>-(<i>R</i>,<i>R</i>,<i>S</i>,<i>S</i>)-<i>trans</i>-4,5,4',5'-tetrahydroxy-2,2'-bi(1,3-thiaoxolane)-dimethylacetamide (1:2)
Paulus, E. F.; Porz, C.; Acta Crystallographica Section C 48 (1992) 1267–1269; doi:10.1107/S0108270191014683

data_2000763
_publ_section_title
;Structure of
 <i>meso</i>-(<i>R</i>,<i>R</i>,<i>S</i>,<i>S</i>)-<i>trans</i>-4,5,4',5'-tetrahydroxy-2,2'-bi(1,3-thiaoxolane)-dimethylacetamide
 (1:2)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1267
_journal_page_last               1269
_journal_paper_doi               10.1107/S0108270191014683
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C6 H10 O6 S2,2(C4 H9 N1 O1)'
_chemical_formula_sum            'C14 H28 N2 O8 S2'
_chemical_formula_weight         416.5
_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                 109.300(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.782(2)
_cell_length_b                   9.058(2)
_cell_length_c                   9.766(2)
_cell_volume                     983.7(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.788
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_density_meas      1.40
_exptl_crystal_F_000             444
_cod_data_source_file            bx0561.cif
_cod_data_source_block           bx0561_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        984.7
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000763
Structure of <i>N</i>-{2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethyl}-1-hydroxy-2-naphthalenecarboxamide
Luss, H. R.; Texter, J.; Acta Crystallographica Section C 48 (1992) 1269–1272; doi:10.1107/S0108270191013847

data_2000764
_publ_section_title
;Structure of
 <i>N</i>-{2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethyl}-1-hydroxy-2-naphthalenecarboxamide
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1269
_journal_page_last               1272
_journal_paper_doi               10.1107/S0108270191013847
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C29 H37 N O3'
_chemical_formula_weight         447.62
_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                 97.256(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.391(2)
_cell_length_b                   28.817(3)
_cell_length_c                   6.667(2)
_cell_volume                     2552.1(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.069
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_F_000             968
_cod_data_source_file            cr0359.cif
_cod_data_source_block           cr0359a
_cod_original_cell_volume        2552(2)
_cod_original_formula_sum        'C29 H37 N1 O3'
_cod_database_code               2000764
The structure of triphenylmethanol, Ph~3~COH
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Low, J. N.; Scrimgeour, S. N.; Acta Crystallographica Section C 48 (1992) 1272–1275; doi:10.1107/S0108270191015044

data_2000765
_publ_section_title
;
 The structure of triphenylmethanol, Ph~3~COH
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1272
_journal_page_last               1275
_journal_paper_doi               10.1107/S0108270191015044
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H16 O'
_chemical_formula_weight         260.3
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            24
_cell_length_a                   19.307(3)
_cell_length_b                   19.307(3)
_cell_length_c                   26.735(4)
_cell_volume                     8631(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.07
_exptl_crystal_density_diffrn    1.20
_exptl_crystal_F_000             3312
_cod_data_source_file            mu0292.cif
_cod_data_source_block           mu0292a
_cod_depositor_comments
;
Strange packing?

Saulius Gra\<zulis
;
_cod_original_sg_symbol_H-M      'R -3 {hexagonal axes}'
_cod_original_formula_sum        'C19 H16 O1'
_cod_database_code               2000765
<i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate
Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J.; Acta Crystallographica Section C 48 (1992) 1275–1279; doi:10.1107/S0108270191014130

data_2000766
_publ_section_title
;
 <i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and
 <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl]
 acetate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1275
_journal_page_last               1279
_journal_paper_doi               10.1107/S0108270191014130
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H20 I N O2'
_chemical_formula_weight         337.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.060(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.820(2)
_cell_length_b                   6.2050(10)
_cell_length_c                   17.550(3)
_cell_volume                     1446.2(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.18
_exptl_crystal_density_diffrn    1.55
_exptl_crystal_F_000             672
_cod_data_source_file            cd0061.cif
_cod_data_source_block           cd0061a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_original_formula_sum        'C12 H20 I1 N1 O2'
_cod_database_code               2000766