LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 1S*,7S*-bis(trimethylsilylcarbonyl)-2S*,6S*-dihydroxy- 2S*,6S*-bis(trimethylsilyl)-1,2,3,5,6,7hexahydro-s-indacene, C~26~H~46~O~4~Si~4~
Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe; Portella, Charles; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 363–364; doi:

data_8100997
_publ_section_title
;
Crystal structure of 1S*,7S*-bis(trimethylsilylcarbonyl)-2S*,6S*-dihydroxy-
2S*,6S*-bis(trimethylsilyl)-1,2,3,5,6,7hexahydro-s-indacene, 
C~26~H~46~O~4~Si~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              363
_journal_page_last               364
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C26 H46 O4 Si4'
_chemical_formula_sum            'C26 H46 O4 Si4'
_chemical_formula_weight         534.99
_space_group_IT_number           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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.800(4)
_cell_length_b                   20.598(9)
_cell_length_c                   22.405(5)
_cell_measurement_temperature    293(2)
_cell_volume                     6368.7(36)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.116
_cod_database_code               8100997
Crystal structure of meso 1,7-bis(trimethylsilylcarbonyl)-2,6-dihydroxy- 2,6-bis(trimethylsilyl)-1,2,3,5,6,7-hexahydro-s-indacene, C~26~H~46~O~4~Si~4~
Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe; Portella, Charles; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 365–366; doi:

data_8100998
_publ_section_title
;
Crystal structure of meso 1,7-bis(trimethylsilylcarbonyl)-2,6-dihydroxy-
2,6-bis(trimethylsilyl)-1,2,3,5,6,7-hexahydro-s-indacene, C~26~H~46~O~4~Si~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              365
_journal_page_last               366
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C26 H46 O4 Si4'
_chemical_formula_structural     'C26 H46 O4 Si4'
_chemical_formula_sum            'C26 H46 O4 Si4'
_chemical_formula_weight         534.99
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 100.45(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.397(2)
_cell_length_b                   18.217(4)
_cell_length_c                   17.935(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3340.6(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.064
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100998
Crystal structure of N,N'-bis(3,5-xylyl)perylene-3,4:9,10-bis(dicarboximide), C~40~H~26~N~2~O~4~
Mizuguchi, Jin; Tojo, Kaoru; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 375–376; doi:

data_8100999
_publ_section_title
;
Crystal structure of N,N'-bis(3,5-xylyl)perylene-3,4:9,10-bis(dicarboximide), 
C~40~H~26~N~2~O~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              375
_journal_page_last               376
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C40 H26 N2 O4'
_chemical_formula_sum            'C40 H26 N2 O4'
_chemical_formula_weight         598.66
_space_group_IT_number           2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 93.40(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.0133(5)
_cell_length_b                   4.869(3)
_cell_length_c                   17.096(5)
_cell_measurement_temperature    296.2
_cell_volume                     1413(1)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_meas      1.399
_refine_ls_R_factor_obs          0.0497
_refine_ls_wR_factor_obs         0.0768
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100999
Crystal structure of magnesiumphthalocyanine, C~32~H~16~N~8~Mg
Mizuguchi, Jin; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 377–378; doi:

data_8101000
_publ_section_title
;
Crystal structure of magnesiumphthalocyanine, C~32~H~16~N~8~Mg
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              377
_journal_page_last               378
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C32 H16 N8 Mg '
_chemical_formula_sum            'C32 H16 Mg N8'
_chemical_formula_weight         536.84
_chemical_name_common            Magnesiumphthalocyanine
_space_group_IT_number           14
_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                 119.890(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.971(2)
_cell_length_b                   4.916(3)
_cell_length_c                   14.401(2)
_cell_measurement_temperature    273
_cell_volume                     1164.3(6)
_diffrn_ambient_temperature      273
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_meas      1.460
_refine_ls_R_factor_obs          0.0469
_refine_ls_wR_factor_obs         0.0699
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C32 H16 N8 Mg '
_cod_database_code               8101000
Crystal structure of bis(R-(+)-1-phenylethylammonium) tetraaquatrioxolatodiferrate, [C~6~H~5~CH(CH~3~)NH~3~]~2~[Fe~2~(C~2~O~4~)~3~(H~2~O)~4~]
Shan, Yongkui; Huang, Songping D.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 373–374; doi:

data_8101001
_publ_section_title
;
Crystal structure of bis(R-(+)-1-phenylethylammonium) 
tetraaquatrioxolatodiferrate, 
[C~6~H~5~CH(CH~3~)NH~3~]~2~[Fe~2~(C~2~O~4~)~3~(H~2~O)~4~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              373
_journal_page_last               374
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '[C6 H5 CH(CH3)NH3]2 [Fe2 (C2 O4)3 (H2 O)4]'
_chemical_formula_sum            'C11 H16 Fe N O8'
_chemical_formula_weight         346.10
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.105(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.0473(9)
_cell_length_b                   7.5605(6)
_cell_length_c                   17.162(1)
_cell_measurement_temperature    296.7
_cell_volume                     1433.4(2)
_diffrn_ambient_temperature      296(1)
_exptl_crystal_density_diffrn    1.604
_cod_depositor_comments
;
 Marking atoms 'C(11)' and 'C(12)' as having full occupancies ('1.000') instead
 of partial ones ('0.500') after consulting the original publication.

 Antanas Vaitkus,
 2017-07-12

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-07-12
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               8101001
Crystal structure of (R,R)-N,N'-(2-oxo-1,3-propanediyl)-N,N'-bis (trifluoromethylsulfonyl)-1,2-cyclohexanediamine, C~11~H~14~F~6~N~2~O~5~S~2~
Yao, Qingwei; Zheng, Chong; Li, Shoujian; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 338–340; doi:

data_8101002
_publ_section_title
;
Crystal structure of (R,R)-N,N'-(2-oxo-1,3-propanediyl)-N,N'-bis
(trifluoromethylsulfonyl)-1,2-cyclohexanediamine, C~11~H~14~F~6~N~2~O~5~S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              338
_journal_page_last               340
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C11 H14 F6 N2 O5 S2'
_chemical_formula_weight         432.36
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.44
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.36250(10)
_cell_length_b                   16.8205(2)
_cell_length_c                   15.8190(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1691.43(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.698
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101002
Crystal structure of bis(4,4'-bithiazole)bismuth(III) trinitrate hemihydrate, Bi(C~6~H~4~N~2~S~2~)~2~(NO~3~)~3~ · 0.5H~2~O
Morsali, A.; Tadjarodi, A.; Mohammadi, R.; Mahjoub, A.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 379–380; doi:

data_8101003
_publ_section_title
;
Crystal structure of bis(4,4'-bithiazole)bismuth(III) trinitrate hemihydrate, 
Bi(C~6~H~4~N~2~S~2~)~2~(NO~3~)~3~ &#x00B7; 0.5H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              379
_journal_page_last               380
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C12 H8 Bi N7 O9 S4, 0.5(H2 O)'
_chemical_formula_structural     '[Bi(C6 H4 N2 S2)2 (N O3)3].0.5(H2 O)'
_chemical_formula_sum            'C12 H9 Bi N7 O9.5 S4'
_chemical_formula_weight         740.48
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 104.683(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.888(2)
_cell_length_b                   14.723(4)
_cell_length_c                   16.748(4)
_cell_measurement_temperature    110(2)
_cell_volume                     2120.1(9)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    2.320
_refine_ls_R_factor_obs          0.0358
_refine_ls_wR_factor_obs         0.0781
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C12 H9 Bi N7 O9.50 S4'
_cod_database_code               8101003
Crystal structure of 3',5'-di-O-acetyl-2'-C-α-acetyl-oxymethyl- 2,2'-anhydro-1-(β-D-arabinofuranosyl)uracil, C~16~H~18~N~2~O~9~
Dai, Qing; Piccirilli, Joseph A.; Zheng, Chong; Li, Shoujian; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 343–346; doi:

data_8101004
_publ_section_title
;
Crystal structure of 3',5'-di-O-acetyl-2'-C-\a-acetyl-oxymethyl-
2,2'-anhydro-1-(\b-D-arabinofuranosyl)uracil, C~16~H~18~N~2~O~9~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              343
_journal_page_last               346
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C16 H18 N2 O9'
_chemical_formula_sum            'C16 H18 N2 O9'
_chemical_formula_weight         382.32
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                94.987(7)
_cell_angle_beta                 96.316(6)
_cell_angle_gamma                90.005(6)
_cell_formula_units_Z            4
_cell_length_a                   8.215(2)
_cell_length_b                   9.826(3)
_cell_length_c                   21.721(6)
_cell_measurement_temperature    153(2)
_cell_volume                     1735.9(8)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.463
_cod_database_code               8101004
Crystal structure of N,N'-di-5-nitrosalicylidene-(R,R)-1,2-cyclohexanediamine, C~20~H~20~N~4~O~6~
Muthuraman, M.; Nicoud, J.-F.; Masse, R.; Desiraju, Gautam R.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 381–382; doi:

data_8101005
_publ_section_title
;
Crystal structure of N,N'-di-5-nitrosalicylidene-(R,R)-1,2-cyclohexanediamine, 
C~20~H~20~N~4~O~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              381
_journal_page_last               382
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C20 H20 N4 O6 '
_chemical_formula_sum            'C20 H20 N4 O6'
_chemical_formula_weight         412.40
_space_group_IT_number           19
_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            4
_cell_length_a                   7.2843(3)
_cell_length_b                   10.8584(8)
_cell_length_c                   24.407(2)
_cell_measurement_temperature    296.2
_cell_volume                     1930.5(2)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.419
_cod_original_formula_sum        'C20 H20 N4 O6 '
_cod_database_code               8101005
Crystal structure of N,N'-di-5-nitrosalicylidene-(R,S)-1,2-cyclohexanediamine, C~20~H~20~N~4~O~6~
Mathuraman, M.; Nicoud, J.-F.; Masse, R.; Desiraju, G. R.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 383–384; doi:

data_8101006
_publ_section_title
;
Crystal structure of N,N'-di-5-nitrosalicylidene-(R,S)-1,2-cyclohexanediamine, 
C~20~H~20~N~4~O~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              383
_journal_page_last               384
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C20 H20 N4 O6 '
_chemical_formula_sum            'C20 H20 N4 O6'
_chemical_formula_weight         412.40
_space_group_IT_number           14
_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                 92.099(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1865(4)
_cell_length_b                   10.7102(7)
_cell_length_c                   19.865(1)
_cell_measurement_temperature    296.2
_cell_volume                     1953.2(2)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.402
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C20 H20 N4 O6 '
_cod_database_code               8101006
Crystal structure of tetra[(15-crown-5)sodium] pentadecavanadate chloride dihydrate, (NaC~10~H~20~O~5~)~4~(ClV~15~O~36~) · 2H~2~O
Yongkui, Shan; Songping, D. Huang; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 370–372; doi:

data_8101007
_publ_section_title
;
Crystal structure of tetra[(15-crown-5)sodium] pentadecavanadate chloride 
dihydrate, (NaC~10~H~20~O~5~)~4~(ClV~15~O~36~) &#x00B7; 2H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              370
_journal_page_last               372
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C40 H80 Cl Na4 O58 V15'
_chemical_formula_weight         2380.57
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.109(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.492(1)
_cell_length_b                   14.8423(7)
_cell_length_c                   23.741(1)
_cell_measurement_temperature    296(1)
_cell_volume                     8312.6(7)
_diffrn_ambient_temperature      296(1)
_exptl_crystal_density_diffrn    1.902
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C40 H80 Cl Na4 O58 V15 '
_cod_database_code               8101007
Crystal structure of piperazine oxonium dodecafluorotrialuminate, (C~4~H~12~N~2~)(H~3~O)[Al~3~F~12~]
Dadachov, Mike S.; Tang, Liqiu; Zou, Xiaodong; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 385–386; doi:

data_8101008
_publ_section_title
;
Crystal structure of piperazine oxonium dodecafluorotrialuminate, 
(C~4~H~12~N~2~)(H~3~O)[Al~3~F~12~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              385
_journal_page_last               386
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '(C4 H12 N2)[Al3 F12] . H3 O'
_chemical_formula_sum            'C4 H15 Al3 F12 N2 O'
_chemical_formula_weight         416.12
_space_group_IT_number           19
_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                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   6.811(5)
_cell_length_b                   10.095(5)
_cell_length_c                   19.343(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1330.0(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.078
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101008
Crystal structure of dipyridine oxonium undecafluorodititanate hydrate, (C~5~H~6~N)~2~(H~3~O)[Ti~2~F~11~] · H~2~O
Tang, L.Q.; Dadachov, M.S.; Zou, X.D.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 387–388; doi:

data_8101009
_publ_section_title
;
Crystal structure of dipyridine oxonium undecafluorodititanate hydrate, 
(C~5~H~6~N)~2~(H~3~O)[Ti~2~F~11~] &#x00B7; H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              387
_journal_page_last               388
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '(C5H6N)2(H3O).[Ti2 F11] . H2O'
_chemical_formula_sum            'C5 H8.5 F5.5 N O Ti'
_chemical_formula_weight         251.03
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.733(5)
_cell_angle_beta                 85.250(5)
_cell_angle_gamma                86.692(5)
_cell_formula_units_Z            1
_cell_length_a                   6.684(5)
_cell_length_b                   8.215(5)
_cell_length_c                   8.345(5)
_cell_measurement_temperature    293(2)
_cell_volume                     454.1(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.836
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C5 H8.50 F5.50 N O Ti'
_cod_database_code               8101009
Crystal structure of (2R*,5S*,6S*)-2-isopropoxy-4-oxo-4-phenyl-tetrahydro- 2H-1,3-oxazine-6-ethylcarboxylate, C~16~H~21~NO~5~
Tinant, Bernard; Ntirampebura, Deogratias; Ghosez, Léon; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 367–369; doi:

data_8101010
_publ_section_title
;
Crystal structure of (2R*,5S*,6S*)-2-isopropoxy-4-oxo-4-phenyl-tetrahydro-
2H-1,3-oxazine-6-ethylcarboxylate, C~16~H~21~NO~5~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              367
_journal_page_last               369
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C16 H21 N O5'
_chemical_formula_weight         307.34
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.540(9)
_cell_angle_beta                 65.150(10)
_cell_angle_gamma                73.400(8)
_cell_formula_units_Z            4
_cell_length_a                   11.1540(7)
_cell_length_b                   12.9360(10)
_cell_length_c                   13.8440(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1684.1(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.212
_cod_database_code               8101010
Crystal structure of 1-(2',6'-dichlorophenylhydroxy)-2-thia-cyclopentane, C~12~H~8~Cl~2~O~2~S
Bibila, Y.; Kakou-Yao, R.; Degny, E.; Ebby, N.; Aycard, J. P.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 393–394; doi:

data_8101011
_publ_section_title
;
Crystal structure of 1-(2',6'-dichlorophenylhydroxy)-2-thia-cyclopentane, 
C~12~H~8~Cl~2~O~2~S
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              393
_journal_page_last               394
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C12 H8 Cl2 O2 S'
_chemical_formula_weight         287.14
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.7140(10)
_cell_angle_beta                 72.9860(10)
_cell_angle_gamma                67.2650(10)
_cell_formula_units_Z            2
_cell_length_a                   8.0220(10)
_cell_length_b                   7.9820(10)
_cell_length_c                   10.8420(10)
_cell_measurement_temperature    293(2)
_cell_volume                     610.58(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.562
_cod_database_code               8101011