LMucko/crystallography-open-database huggingface dataset:
Crystal structure of nitratobis(1,10-phenanthroline-N,N')cobalt(II) nitrate tetrahydrate, [Co(C~12~H~8~N~2~)~2(N~O~3~)]NO~3~ · 4H~2~O
Zheng, Yue-Qing; Zhang, Hong-Liang; Lin, Jian-Li; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 67–68; doi:

data_8100533
_publ_section_title
;
Crystal structure of nitratobis(1,10-phenanthroline-N,N')cobalt(II) 
nitrate tetrahydrate, [Co(C~12~H~8~N~2~)~2(N~O~3~)]NO~3~ &#x00B7; 4H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              67
_journal_page_last               68
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C24 H24 Co N6 O10'
_chemical_formula_sum            'C24 H24 Co N6 O10'
_chemical_formula_weight         615.42
_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                106.230(10)
_cell_angle_beta                 103.380(10)
_cell_angle_gamma                90.210(10)
_cell_formula_units_Z            2
_cell_length_a                   7.9820(10)
_cell_length_b                   10.4160(10)
_cell_length_c                   16.582(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1284.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.591
_cod_database_code               8100533
Crystal structure of 5,11,17,23-tetradiphenylphosphino-25,26,27,28- tetrapropoxycalix[4]arene dichloromethane solvate, C~88~H~8~4O~4~P~4~ · CH~2~Cl~2~
Lejeune, Manuel; Jeunesse, Catherine; Matt, Dominique; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 51–54; doi:

data_8100534
_publ_section_title
;
Crystal structure of 5,11,17,23-tetradiphenylphosphino-25,26,27,28-
tetrapropoxycalix[4]arene dichloromethane solvate, C~88~H~8~4O~4~P~4~ 
&#x00B7; CH~2~Cl~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              51
_journal_page_last               54
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C89 H86 Cl2 O4 P4'
_chemical_formula_structural     'C89 H86 Cl2 O4 P4'
_chemical_formula_sum            'C89 H86 Cl2 O4 P4'
_chemical_formula_weight         1414.48
_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                 97.981(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.7265(2)
_cell_length_b                   14.3256(2)
_cell_length_c                   28.7705(5)
_cell_measurement_temperature    173
_cell_volume                     7643.5(2)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.23
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100534
Crystal structure of (4-phenyl-1-p-tolylbut-1-en-3-ynyl)-4-methylbenzoate, C~25~H~20~O~2~
Rossollin, Valérie; Lokshin, Vladimir; Samat, André; Pèpe, Gérard; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 57–58; doi:

data_8100535
_publ_section_title
;
Crystal structure of (4-phenyl-1-p-tolylbut-1-en-3-ynyl)-4-methylbenzoate, 
C~25~H~20~O~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              57
_journal_page_last               58
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C25 H20 O2'
_chemical_formula_sum            'C25 H20 O2'
_chemical_formula_weight         352.41
_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                 90.37(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.709(1)
_cell_length_b                   10.663(1)
_cell_length_c                   17.478(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1995.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.173
_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      'P 21/c'
_cod_database_code               8100535
Crystal structure of erythro-2-hydroxy-3-phenylbutyric acid, C~6~H~5~CH (CH~3~)CH(OH)COOH
Ludwig, Rainer; Lentz, Dieter; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 59–60; doi:

data_8100536
_publ_section_title
;
Crystal structure of erythro-2-hydroxy-3-phenylbutyric acid, C~6~H~5~CH
(CH~3~)CH(OH)COOH
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              59
_journal_page_last               60
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         C6H5-CH(CH3)CH(OH)COOH
_chemical_formula_structural     'C6 H5-CH(CH3)CH(OH)COOH'
_chemical_formula_sum            'C10 H12 O3'
_chemical_formula_weight         180.205
_chemical_melting_point          395
_chemical_name_common            '2-Hydroxy-3-phenylbutyric acid'
_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                 90.43(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.427(2)
_cell_length_b                   5.967(2)
_cell_length_c                   18.008(2)
_cell_measurement_temperature    293(2)
_cell_volume                     905.5(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.322
_refine_ls_R_factor_obs          0.0331
_refine_ls_wR_factor_obs         0.0811
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100536
Crystal structure of 1,4-di-(2'-pyridyl)aminophthalazine, C~18~H~14~N~6~
Balogh-Hergovich, Éva; Speier, G.; Réglier, Marius; Giorgi, Michel; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 61–62; doi:

data_8100537
_publ_section_title
;
Crystal structure of 1,4-di-(2'-pyridyl)aminophthalazine, C~18~H~14~N~6~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              61
_journal_page_last               62
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C18 H14 N6 '
_chemical_formula_structural     'C18 H14 N6 '
_chemical_formula_sum            'C18 H14 N6'
_chemical_formula_weight         314.352
_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                 96.641(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.1420(1)
_cell_length_b                   11.3731(9)
_cell_length_c                   8.8933(4)
_cell_measurement_temperature    298
_cell_volume                     1521.3(2)
_exptl_crystal_density_diffrn    1.373
_refine_ls_goodness_of_fit_gt    2.204
_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      'P 21/c'
_cod_original_formula_sum        'C18 H14 N6 '
_cod_database_code               8100537
Crystal structure of 4,8-di(acetoxy)-2,6-dioxabicyclo[3.3.0]octane- 3,7-dione(O^2^,O^5^-diacetylglucaric acid-1,4:6,3-dilactone), C~10~H~10O8~
Bruhn, Clemens; Arendt, Yvonne; Steinborn, Dirk; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 63–64; doi:

data_8100538
_publ_section_title
;
Crystal structure of 4,8-di(acetoxy)-2,6-dioxabicyclo[3.3.0]octane-
3,7-dione(O^2^,O^5^-diacetylglucaric acid-1,4:6,3-dilactone), C~10~H~10O8~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              63
_journal_page_last               64
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C10 H10 O8'
_chemical_formula_sum            'C10 H10 O8'
_chemical_formula_weight         258.20
_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                   7.0875(18)
_cell_length_b                   8.692(2)
_cell_length_c                   17.531(3)
_cell_measurement_temperature    220(2)
_cell_volume                     1079.9(4)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.588
_cod_database_code               8100538
Crystal structure of (‒)-N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethylchroman- 4-yl]-N-methyl-ethansulfonamide hydrate, (CN)C~9~OH~5~(CH~3~)~2~(OH) N(CH~3~)SO~2~C~2~H~5~ · 0.34H~2~O
Paulus, E. F.; Burgard, A.; Lang, H.-J.; Gerlach, U.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 139–140; doi:

data_8100539
_publ_section_title
;
Crystal structure of (--)-N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethylchroman-
4-yl]-N-methyl-ethansulfonamide hydrate, (CN)C~9~OH~5~(CH~3~)~2~(OH)
N(CH~3~)SO~2~C~2~H~5~ &#x00B7; 0.34H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              139
_journal_page_last               140
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C15 H20 N2 O4 S * 1/3 H2 O'
_chemical_formula_sum            'C15 H20.66 N2 O4.33 S'
_chemical_formula_weight         331.02
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.577(1)
_cell_length_b                   26.465(1)
_cell_length_c                   12.088(1)
_cell_measurement_temperature    193(2)
_cell_volume                     3383.53(12)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.300
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-09-03
;
_cod_database_code               8100539
Crystal structure of 25,27-bis(1,3,5-trimethyl-1,3,5-triaza-2lamda ^5^sigma^4^-phosphorin-4,6-dionyl)calix[4]arene-crown-6-disulfide, C~48~H~58~N~6~O~12~P~2~S~2~
Dieleman, Cedric B.; Matt, Dominique; Neda, Ion; Schmutzler, Reinhard; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 55–56; doi:

data_8100540
_publ_section_title
;
Crystal structure of 25,27-bis(1,3,5-trimethyl-1,3,5-triaza-2lamda
^5^sigma^4^-phosphorin-4,6-dionyl)calix[4]arene-crown-6-disulfide, 
C~48~H~58~N~6~O~12~P~2~S~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              55
_journal_page_last               56
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C48 H58 N6 O12 P2 S2'
_chemical_formula_structural     'C48 H58 N6 O12 P2 S2'
_chemical_formula_sum            'C48 H58 N6 O12 P2 S2'
_chemical_formula_weight         1037.11
_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
_cell_angle_beta                 94.115(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.460(1)
_cell_length_b                   15.635(1)
_cell_length_c                   16.2450(9)
_cell_measurement_temperature    294
_cell_volume                     4929.9(9)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.40
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100540
Crystal structure of 2-(O,O-isopropyledene-2,3-dihydroxypropoxy)-3- cyano-4,6-diphenylpyridine, C~24~H~22~N~2~O~3~
Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 32–34; doi:10.1524/ncrs.2002.217.1.32

data_8100541
_publ_section_title
;
Crystal structure of 2-(O,O-isopropyledene-2,3-dihydroxypropoxy)-3-
cyano-4,6-diphenylpyridine, C~24~H~22~N~2~O~3~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              32
_journal_page_last               34
_journal_paper_doi               10.1524/ncrs.2002.217.1.32
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C24 H22 N2 O3'
_chemical_formula_structural     'C24 H22 N2 O3'
_chemical_formula_sum            'C24 H22 N2 O3'
_chemical_formula_weight         386.43
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.199(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.462(4)
_cell_length_b                   11.446(2)
_cell_length_c                   23.005(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4060.5(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_density_meas      1.232
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02

The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (32 times).

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               8100541
Crystal structure of bis(trimethylammonium) zirconium bis(nitrilotriacetate) dihydrate, [NH(CH~3~)~3~]~2~Zr[N(CH~2~COO)~3~]~2~ · 2H~2~O
Haussühl, Eiken; Giester, G.; Tillmanns, E.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 69–70; doi:

data_8100542
_publ_section_title
;
Crystal structure of bis(trimethylammonium) zirconium bis(nitrilotriacetate) 
dihydrate, [NH(CH~3~)~3~]~2~Zr[N(CH~2~COO)~3~]~2~ &#x00B7; 2H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              69
_journal_page_last               70
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '(NH(CH3 )3)2 Zr(N(CH2 COO)3)2 (H2O)2'
_chemical_formula_sum            'C18 H36 N4 O14 Zr'
_chemical_formula_weight         623.73
_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                   9.812(2)
_cell_length_b                   12.026(2)
_cell_length_c                   21.347(4)
_cell_measurement_temperature    100(2)
_cell_volume                     2518.9(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_meas      1.611(2)
_cod_database_code               8100542
Crystal structure of methylammonium guanidinium bis(nitrilotriacetato) zirconate hydrate, (CH~3~NH~3~)[C(NH~2~)~3~]Zr[N(CH~2~COO)~3~]~2 ~ · 1.5H~2~O
Haussühl, Eiken; Giester, G.; Tillmanns, E.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 71–73; doi:

data_8100543
_publ_section_title
;
Crystal structure of methylammonium guanidinium bis(nitrilotriacetato) 
zirconate hydrate, (CH~3~NH~3~)[C(NH~2~)~3~]Zr[N(CH~2~COO)~3~]~2 ~ 
&#x00B7; 1.5H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              71
_journal_page_last               73
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural
'(CH3 NH3 )(C(N H2)3) Zr(N(CH2 COO)3)2 .1.5(H2 0)'
_chemical_formula_sum            'C14 H27 N6 O13.5 Zr'
_chemical_formula_weight         586.64
_chemical_name_common
;
 methylammonium guanidinium bis(nitrilotriacetato)
 zirconate 1.5 hydrate
;
_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                 103.44(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.169(4)
_cell_length_b                   11.351(2)
_cell_length_c                   10.642(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2252.0(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_meas      1.734
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C14 H27 N6 O13.50 Zr'
_cod_database_code               8100543
Refinement of the crystal structure of 3,4:9,10-perylene-bis(dicarboximide), C~24~H~10~N~2~O~4~, at 263 K
Tojo, Kaoru; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 45–46; doi:

data_8100544
_publ_section_title
;
Refinement of the crystal structure of 3,4:9,10-perylene-bis(dicarboximide), 
C~24~H~10~N~2~O~4~, at 263 K
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              45
_journal_page_last               46
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C24 H10 N2 O4 '
_chemical_formula_structural     'C24 H10 N2 O4 '
_chemical_formula_sum            'C24 H10 N2 O4'
_chemical_formula_weight         390.35
_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                 91.33(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.865(4)
_cell_length_b                   14.660(7)
_cell_length_c                   10.844(3)
_cell_measurement_temperature    263.2
_cell_volume                     773.0(7)
_exptl_crystal_density_diffrn    1.677
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C24 H10 N2 O4 '
_cod_database_code               8100544
Crystal structure of the steroid 3-ethoxyandrosta-3,5-dien-17-one, C~21~H~30~O~2~
Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 81–82; doi:

data_8100545
_publ_section_title
;
Crystal structure of the steroid 3-ethoxyandrosta-3,5-dien-17-one, 
C~21~H~30~O~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              81
_journal_page_last               82
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C21 H30 O2 '
_chemical_formula_structural     'C21 H30 O2 '
_chemical_formula_sum            'C21 H30 O2'
_chemical_formula_weight         314.47
_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
_cell_angle_beta                 93.70(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.707(2)
_cell_length_b                   7.519(2)
_cell_length_c                   17.868(2)
_cell_measurement_temperature    293
_cell_volume                     899.3(3)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.161
_cod_original_sg_symbol_H-M      P21
_cod_original_formula_sum        'C21 H30 O2 '
_cod_database_code               8100545
Crystal structure of (±)-1-adamantyl(1R,2S)-2-hydroxy-2-phenyl-3- cyclopentene-1-carboxylate, C~22~H~26~O~3~
Greatrex, B. W.; Taylor, D. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 83–84; doi:

data_8100546
_publ_section_title
;
Crystal structure of (+-)-1-adamantyl(1R,2S)-2-hydroxy-2-phenyl-3-
cyclopentene-1-carboxylate, C~22~H~26~O~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              83
_journal_page_last               84
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C22 H26 O3 '
_chemical_formula_structural     'C22 H26 O3 '
_chemical_formula_sum            'C22 H26 O3'
_chemical_formula_weight         338.45
_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                102.21(2)
_cell_angle_beta                 105.49(3)
_cell_angle_gamma                71.58(2)
_cell_formula_units_Z            2
_cell_length_a                   9.834(2)
_cell_length_b                   10.629(2)
_cell_length_c                   9.754(5)
_cell_measurement_temperature    173
_cell_volume                     923.2(5)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.217
_cod_original_formula_sum        'C22 H26 O3 '
_cod_database_code               8100546