LMucko/crystallography-open-database huggingface dataset:
Crystal structure of Boc-Leu-ΔPhe-ΔPhe-Ile-OCH~3~, C~36~H~48~N~4~O~7~
Makker, J.; Dey, S.; Mukherjee, S.; Kumar, P.; Singh, T.P.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 372–374; doi:

data_8100700
_publ_section_title
;
Crystal structure of Boc-Leu-\DPhe-\DPhe-Ile-OCH~3~, C~36~H~48~N~4~O~7~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              372
_journal_page_last               374
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C36 H48 N4 O7'
_chemical_formula_structural     'C36 H48 N4 O7'
_chemical_formula_sum            'C36 H48 N4 O7'
_chemical_formula_weight         648.78
_chemical_name_common
;
tert-butyloxy-carbonyl-leucyl-dehydro-phenylalanyl-dehydro-
phenylalanyl-isoleucine methyl ester
;
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.753(3)
_cell_length_b                   14.991(11)
_cell_length_c                   21.464(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3782(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.139
_cod_database_code               8100700
Crystal structure of 1,2-bis(2-methyl-5-formyl-thien-3-yl) perfluorocyclopentene, C~5~F~6~(C~4~HSCH~3~)~2~(CHO)~2~, a photochromic diarylethene
Pu, Shou-Zhi; Sun, Fan; Yuan, Peng; Zhou, Xin-Hong; Zhang, Fu-Shi; Wang, Ru-Ji; Chan, Shek-Kiu; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 415–416; doi:

data_8100701
_publ_section_title
;
Crystal structure of 1,2-bis(2-methyl-5-formyl-thien-3-yl)
perfluorocyclopentene, C~5~F~6~(C~4~HSCH~3~)~2~(CHO)~2~, a photochromic 
diarylethene
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              415
_journal_page_last               416
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C5 F6 (C4 H S CH3)2 (CHO)2'
_chemical_formula_structural     'C5 F6 (C4 HSCH3)2 (CHO)2'
_chemical_formula_sum            'C17 H10 F6 O2 S2'
_chemical_formula_weight         424.37
_chemical_melting_point          183
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.182(2)
_cell_length_b                   8.7063(13)
_cell_length_c                   16.622(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1763.0(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.599
_cod_database_code               8100701
Refinement of the crystal structure of tris(nitrato-O,O')-bis(1,10- phenanthroline)bismuth(III), Bi(C~12~H~8~N~2~)~2~(NO~3~)~3~, at 110 K
Mahjoub, A. R.; Morsali, A.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 443–444; doi:

data_8100702
_publ_section_title
;
Refinement of the crystal structure of tris(nitrato-O,O')-bis(1,10-
phenanthroline)bismuth(III), Bi(C~12~H~8~N~2~)~2~(NO~3~)~3~, at 110 
K
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              443
_journal_page_last               444
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C24 H16 Bi N7 O9'
_chemical_formula_structural     'Bi(C12 H8 N2)2 (NO3)3'
_chemical_formula_sum            'C24 H16 Bi N7 O9'
_chemical_formula_weight         755.42
_chemical_melting_point          110
_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                 100.728(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.999(2)
_cell_length_b                   17.813(4)
_cell_length_c                   12.993(3)
_cell_measurement_temperature    110(2)
_cell_volume                     2501.2(10)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    2.006
_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_database_code               8100702
Crystal structure of tin tetrabromodioxane, SnBr~4~ · (C~4~H~8~O~2~), a one dimensional polymer of Sn(IV)
Bauer, Matthew; Kouvetakis, John; Groy, Thomas L.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 421–422; doi:

data_8100703
_publ_section_title
;
Crystal structure of tin tetrabromodioxane, SnBr~4~ &#x00B7; (C~4~H~8~O~2~), 
a one dimensional polymer of Sn(IV)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              421
_journal_page_last               422
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'SnBr4 .(C4 H8 O2)'
_chemical_formula_sum            'C4 H8 Br4 O2 Sn'
_chemical_formula_weight         526.43
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7678(6)
_cell_length_b                   11.2927(7)
_cell_length_c                   11.1746(7)
_cell_measurement_temperature    298(2)
_cell_volume                     1106.42(12)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    3.160
_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               8100703
Crystal structure of tetraphenylphosphonium diaquaoxonium dichloride dichloromethane solvate, [P(C~6~H~5~)~4~H~7~O~3~]Cl~2~ · CH~2~Cl~2~
Czado, Wolfgand; Müller, Ulrich; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 339–340; doi:

data_8100704
_publ_section_title
;
Crystal structure of tetraphenylphosphonium diaquaoxonium dichloride 
dichloromethane solvate, [P(C~6~H~5~)~4~H~7~O~3~]Cl~2~ &#x00B7; CH~2~Cl~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              339
_journal_page_last               340
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety
;
P(C6 H5+ )4 H7O3+ 2Cl- . CH2 Cl2
;
_chemical_formula_structural     '[P(C6 H5)4 H7O3] Cl2 . CH2 Cl2 '
_chemical_formula_sum            'C25 H29 Cl4 O3 P'
_chemical_formula_weight         550.29
_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                 90.97(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.737(2)
_cell_length_b                   22.899(5)
_cell_length_c                   15.348(4)
_cell_measurement_temperature    193(2)
_cell_volume                     2719(1)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.344
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C25 H29 Cl4 O3 P1'
_cod_database_code               8100704
Crystal structure of benzamide-2-thiolato(tri-o-tolylphosphine)gold (I), C~28~H~27~AuNOPS
Smyth, D. R.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 357–358; doi:

data_8100705
_publ_section_title
;
Crystal structure of benzamide-2-thiolato(tri-o-tolylphosphine)gold
(I), C~28~H~27~AuNOPS
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              357
_journal_page_last               358
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C28 H27 Au N O P S '
_chemical_formula_structural     'C28 H27 Au N O P S'
_chemical_formula_sum            'C28 H27 Au N O P S'
_chemical_formula_weight         653.53
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.06(2)
_cell_angle_beta                 91.32(2)
_cell_angle_gamma                75.65(2)
_cell_formula_units_Z            2
_cell_length_a                   11.731(2)
_cell_length_b                   13.237(4)
_cell_length_c                   9.245(3)
_cell_measurement_temperature    173
_cell_volume                     1341.8(6)
_diffrn_ambient_temperature      173
_diffrn_orient_matrix_UB_11      0.04800
_diffrn_orient_matrix_UB_12      -0.01884
_diffrn_orient_matrix_UB_13      -0.09566
_diffrn_orient_matrix_UB_21      -0.06854
_diffrn_orient_matrix_UB_22      0.03996
_diffrn_orient_matrix_UB_23      -0.04624
_diffrn_orient_matrix_UB_31      0.02749
_diffrn_orient_matrix_UB_32      0.06766
_diffrn_orient_matrix_UB_33      0.03581
_exptl_crystal_density_diffrn    1.617
_cod_original_formula_sum        'C28 H27 Au1 N1 O1 P1 S1 '
_cod_database_code               8100705
Crystal structure of methyl 4aSR,5RS,12aRS-12a-hydroxy-1,2,3,4,4a, 5,6,11,12,12a-decahydro-dibenzo[a,e][8]annulene-5-carboxylate, C~18~H~24~O~3~
Rademacher, O.; Zimmer, R.; Dinesh, C.U.; Reißig, H.-U.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 423–424; doi:

data_8100706
_publ_section_title
;
Crystal structure of methyl 4aSR,5RS,12aRS-12a-hydroxy-1,2,3,4,4a,
5,6,11,12,12a-decahydro-dibenzo[a,e][8]annulene-5-carboxylate, C~18~H~24~O~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              423
_journal_page_last               424
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C18 H24 O3'
_chemical_formula_sum            'C18 H24 O3'
_chemical_formula_weight         288.37
_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                90.000(10)
_cell_angle_beta                 104.504(10)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   5.9054(10)
_cell_length_b                   31.840(4)
_cell_length_c                   8.743(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1591.6(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.203
_cod_depositor_comments
;
Luca Lutterotti, 10/5/2013

Problem with occupancy exceeding 1. We re-normalize everything to 1 for the maximum.
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               8100706
Crystal structure of 2SR,5SR,5aSR,11bSR-5-methyl-1,5,5a,11b-tetrahydro- 2,5-methanonaphtho[2,1-c]oxepin-3(2H)-one, C~16~H~16~O~2~
Rademacher, O.; Zimmer, R.; Dinesh, C.U.; Reißig, H.-U.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 425–426; doi:

data_8100707
_publ_section_title
;
Crystal structure of 2SR,5SR,5aSR,11bSR-5-methyl-1,5,5a,11b-tetrahydro-
2,5-methanonaphtho[2,1-c]oxepin-3(2H)-one, C~16~H~16~O~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              425
_journal_page_last               426
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C16 H16 O2'
_chemical_formula_sum            'C16 H16 O2'
_chemical_formula_weight         240.29
_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                90.00(3)
_cell_angle_beta                 95.55(3)
_cell_angle_gamma                90.00(3)
_cell_formula_units_Z            4
_cell_length_a                   12.475(4)
_cell_length_b                   7.515(5)
_cell_length_c                   13.259(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1237.3(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.290
_cod_depositor_comments
;
Luca Lutterotti, 10/5/2013

Problem with occupancy exceeding 1. We re-normalize everything to 1
for the maximum.

The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'momoclinic' was replaced with
'monoclinic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100707
Crystal structure of bis(4-dimethylaminophenyl)telluride, (4-Me~2~NC~6~H~4~) ~2~Te
Farran, Joan; Torres-Castellanos, Libardo; Alvarez-Larena, Angel; Piniella, Joan F.; Capparelli, Mario V.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 427–429; doi:

data_8100708
_publ_section_title
;
Crystal structure of bis(4-dimethylaminophenyl)telluride, (4-Me~2~NC~6~H~4~)
~2~Te
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              427
_journal_page_last               429
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C16 H20 N2 Te'
_chemical_formula_structural     '(4-Me2 N C6 H4)2 Te'
_chemical_formula_sum            'C16 H20 N2 Te'
_chemical_formula_weight         367.94
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.29(1)
_cell_angle_beta                 94.142(7)
_cell_angle_gamma                94.05(1)
_cell_formula_units_Z            4
_cell_length_a                   9.9090(6)
_cell_length_b                   10.405(3)
_cell_length_c                   15.803(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1581.6(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.545
_refine_diff_density_rms         0.059
_cod_database_code               8100708
Crystal structure of (tricyclohexylphosphine)(pyrrolinedithiocarbamato) gold(I), C~23~H~41~AuNPS~2~
Ho, S. Y.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 359–360; doi:

data_8100709
_publ_section_title
;
Crystal structure of (tricyclohexylphosphine)(pyrrolinedithiocarbamato)
gold(I), C~23~H~41~AuNPS~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              359
_journal_page_last               360
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C23 H41 Au N P S2'
_chemical_formula_sum            'C23 H41 Au N P S2'
_chemical_formula_weight         623.62
_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                 90.948(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4757(12)
_cell_length_b                   16.309(2)
_cell_length_c                   15.712(2)
_cell_measurement_temperature    183(2)
_cell_volume                     2427.7(5)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.706
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C23 H41 Au1 N1 P1 S2'
_cod_database_code               8100709
Crystal structure of bis(benzamide-2-thiolato)(μ~2~-bis(diphenylphosphino) ethane)digold(I), C~40~H~36~Au~2~N~2~O~2~P~2~S~2~
Smyth, D. R.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 361–362; doi:

data_8100710
_publ_section_title
;
Crystal structure of bis(benzamide-2-thiolato)(\m~2~-bis(diphenylphosphino)
ethane)digold(I), C~40~H~36~Au~2~N~2~O~2~P~2~S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              361
_journal_page_last               362
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C40 H36 Au2 N2 O2 P2 S2 '
_chemical_formula_structural     'C40 H36 Au2 N2 O2 P2 S2'
_chemical_formula_sum            'C40 H36 Au2 N2 O2 P2 S2'
_chemical_formula_weight         1096.74
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.54(2)
_cell_angle_beta                 113.578(18)
_cell_angle_gamma                84.84(2)
_cell_formula_units_Z            1
_cell_length_a                   10.673(2)
_cell_length_b                   11.078(2)
_cell_length_c                   9.066(2)
_cell_measurement_temperature    173.2
_cell_volume                     936.2(4)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.945
_cod_original_formula_sum        'C40 H36 Au2 N2 O2 P2 S2 '
_cod_database_code               8100710
Crystal structure of bis(benzamide-2-thiolato)(μ~2~-bis(diphenylphosphino) propane)digold(I) dimethanol solvate, C~43~H~46~Au~2~N~2~O~4~P~2~S~2~
Smyth, D. R.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 363–365; doi:

data_8100711
_publ_section_title
;
Crystal structure of bis(benzamide-2-thiolato)(\m~2~-bis(diphenylphosphino)
propane)digold(I) dimethanol solvate, C~43~H~46~Au~2~N~2~O~4~P~2~S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              363
_journal_page_last               365
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C43 H46 Au2 N2 O4 P2 S2'
_chemical_formula_structural     'C43 H46 Au2 N2 O4 P2 S2'
_chemical_formula_sum            'C43 H46 Au2 N2 O4 P2 S2'
_chemical_formula_weight         1174.85
_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
_cell_angle_beta                 96.23(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.233(3)
_cell_length_b                   15.395(3)
_cell_length_c                   23.014(8)
_cell_measurement_temperature    173
_cell_volume                     4309(2)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.811
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C43 H46 Au2 N2 O4 P2 S2 '
_cod_database_code               8100711
Crystal structure of (3R,4S,5R)-3,4-O-isopropylidenedioxy-5-vinyl- dihydro-furan-2-one oxime, C~9~H~13~NO~4~
Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 403–404; doi:

data_8100712
_publ_section_title
;
Crystal structure of (3R,4S,5R)-3,4-O-isopropylidenedioxy-5-vinyl-
dihydro-furan-2-one oxime, C~9~H~13~NO~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              403
_journal_page_last               404
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C9 H13 N O4'
_chemical_formula_sum            'C9 H13 N O4'
_chemical_formula_weight         199.20
_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                 105.256(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.2282(8)
_cell_length_b                   8.2300(6)
_cell_length_c                   10.5903(8)
_cell_measurement_temperature    293(2)
_cell_volume                     523.71(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.263
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C9 H13 N1 O4'
_cod_database_code               8100712
Crystal structure of (3aS,4R,5S,6R)-4-acetoxy-5,6-isopropylidenedioxy- 3a,4,5,6-tetrahydro-3H-cyclopent[c]isoxazole, C~11~H~15~NO~5~
Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 405–406; doi:

data_8100713
_publ_section_title
;
Crystal structure of (3aS,4R,5S,6R)-4-acetoxy-5,6-isopropylidenedioxy-
3a,4,5,6-tetrahydro-3H-cyclopent[c]isoxazole, C~11~H~15~NO~5~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              405
_journal_page_last               406
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C11 H15 N O5'
_chemical_formula_sum            'C11 H15 N O5'
_chemical_formula_weight         241.24
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.5206(6)
_cell_length_b                   14.0083(9)
_cell_length_c                   15.6557(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1210.72(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.323
_cod_original_formula_sum        'C11 H15 N1 O5'
_cod_database_code               8100713