LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 2,3-O-dimethyl-5,6-O-isopropylidene-L-ascorbic acid, C~11~H~16~O~6~
Ries, A.; Sander, J.; Hegetschweiler, K.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 577–578; doi:

data_8101070
_publ_section_title
;
Crystal structure of 2,3-O-dimethyl-5,6-O-isopropylidene-L-ascorbic 
acid, C~11~H~16~O~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              577
_journal_page_last               578
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C11 H16 O6'
_chemical_formula_sum            'C11 H16 O6'
_chemical_formula_weight         244.24
_space_group_IT_number           145
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   12.043(2)
_cell_length_b                   12.043(2)
_cell_length_c                   7.666(2)
_cell_measurement_temperature    293(2)
_cell_volume                     962.9(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.685
_cod_database_code               8101070
Crystal structure of 2,3-O-ethandiyl-5,6-O-ditosyl-L-ascorbic acid, C~22~H~22~O~10~S~2~
Ries, A.; Sander, J.; Hegetschweiler, K.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 579–580; doi:

data_8101071
_publ_section_title
;
Crystal structure of 2,3-O-ethandiyl-5,6-O-ditosyl-L-ascorbic acid, 
C~22~H~22~O~10~S~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              579
_journal_page_last               580
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C22 H22 O10 S2'
_chemical_formula_sum            'C22 H22 O10 S2'
_chemical_formula_weight         509.51
_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                 91.27(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.686(2)
_cell_length_b                   8.357(2)
_cell_length_c                   12.738(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1137.3(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.488
_cod_depositor_comments
;
 Correcting the _chemical_formula_sum and _chemical_formula_structural data
 item values by changing them from 'C22 H21 O10 S2' to 'C22 H22 O10 S2' after
 consulting the original publication.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101071
Crystal structure of carbomethoxy-6-hydroxy-1,2,5,5-tetramethyl-1, 2,3,5,6,7,8,8a-octahydronaphtalene, C~16~H~26~O~3~
Zukerman-Schpector, J.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 581–582; doi:

data_8101072
_publ_section_title
;
Crystal structure of carbomethoxy-6-hydroxy-1,2,5,5-tetramethyl-1,
2,3,5,6,7,8,8a-octahydronaphtalene, C~16~H~26~O~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              581
_journal_page_last               582
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C16 H26 O3'
_chemical_formula_structural     'C16 H26 O3'
_chemical_formula_sum            'C16 H26 O3'
_chemical_formula_weight         266.37
_chemical_melting_point          370.5(5)
_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                 114.070(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.370(2)
_cell_length_b                   6.4460(9)
_cell_length_c                   18.660(2)
_cell_volume                     3005.9(6)
_diffrn_ambient_temperature      291(1)
_exptl_crystal_density_diffrn    1.177
_refine_ls_R_factor_obs          0.0506
_refine_ls_wR_factor_obs         0.1264
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '370-371' was changed to '370.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8101072
Crystal structure of O^1^,O^2^,O^3^,O^6^-tetraacetyl-O4-[tetra-O-acetyl- β-D-glucopyranosyl]-α-D-glucopyranose(octa-O-acetyl-α- D-cellobiose), C~28~H~38~O~19~
Bruhn, Clemens; Arendt, Yvonne; Steinborn, Dirk; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 587–588; doi:

data_8101073
_publ_section_title
;
Crystal structure of O^1^,O^2^,O^3^,O^6^-tetraacetyl-O4-[tetra-O-acetyl-
\b-D-glucopyranosyl]-\a-D-glucopyranose(octa-O-acetyl-\a-
D-cellobiose), C~28~H~38~O~19~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              587
_journal_page_last               588
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C28 H38 O19'
_chemical_formula_sum            'C28 H38 O19'
_chemical_formula_weight         678.58
_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                   22.576(5)
_cell_length_b                   5.5979(8)
_cell_length_c                   26.120(6)
_cell_measurement_temperature    220(2)
_cell_volume                     3300.9(11)
_diffrn_ambient_environment      'dried air'
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.365
_cod_database_code               8101073
Crystal structure of 5-methyl-1,4-di[2-(phenylselanyl)cyclohexyl]- 4H-1,2,3,4-tetraazol-1-ium perchlorate, [(C~6~H~5~SeC~6~H~10~)~2~CH~3~CN~4~] ClO~4~
Ward, A. D.; Ward, V. R.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 551–552; doi:

data_8101074
_publ_section_title
;
Crystal structure of 5-methyl-1,4-di[2-(phenylselanyl)cyclohexyl]-
4H-1,2,3,4-tetraazol-1-ium perchlorate, [(C~6~H~5~SeC~6~H~10~)~2~CH~3~CN~4~]
ClO~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              551
_journal_page_last               552
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C26 H33 N4 Se2, Cl O4 '
_chemical_formula_structural     'C26 H33 Cl N4 O4 Se2 '
_chemical_formula_sum            'C26 H33 Cl N4 O4 Se2'
_chemical_formula_weight         658.94
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.095(6)
_cell_length_b                   12.350(3)
_cell_length_c                   7.560(3)
_cell_measurement_temperature    173
_cell_volume                     2810(1)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.558
_cod_original_formula_sum        'C26 H33 Cl N4 O4 Se2 '
_cod_database_code               8101074
Crystal structure of N1-[2-(phenylseleninyl)cyclohexyl]benzamide, C~19~H~21~NO~2~Se
Ward, A. D.; Ward, V. R.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 555–557; doi:

data_8101075
_publ_section_title
;
Crystal structure of N1-[2-(phenylseleninyl)cyclohexyl]benzamide, 
C~19~H~21~NO~2~Se
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              555
_journal_page_last               557
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C19 H21 N O2 Se '
_chemical_formula_sum            'C19 H21 N O2 Se'
_chemical_formula_weight         374.34
_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                 105.25(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.972(1)
_cell_length_b                   29.548(3)
_cell_length_c                   11.830(2)
_cell_measurement_temperature    173
_cell_volume                     3363.2(7)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.479
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C19 H21 N O2 Se '
_cod_database_code               8101075
Crystal structure of (4-bromonaphthalen-2-yl) acetonitrile, C~12~H~8~BrN
Duthie, A.; Scammells, P. J.; Katsifis, A.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 531–532; doi:

data_8101076
_publ_section_title
;
Crystal structure of (4-bromonaphthalen-2-yl) acetonitrile, C~12~H~8~BrN
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              531
_journal_page_last               532
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C12 H8 Br N '
_chemical_formula_structural     'C12 H8 Br N '
_chemical_formula_sum            'C12 H8 Br N'
_chemical_formula_weight         246.11
_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                 98.95(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.555(6)
_cell_length_b                   7.727(3)
_cell_length_c                   16.643(2)
_cell_measurement_temperature    173
_cell_volume                     959.7(6)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.703
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C12 H8 Br N '
_cod_database_code               8101076
Crystal structure of dimethyl 4,5-dimethylene-15-oxahexa-cyclo-[6.6.1.1 ^3,6^.1^10,13^.0^2,7^.0^9,14^]heptane heptan-1,8-dicarboxylate, C~22~H~26~O~5~
Liu, L.; Warrener, R. N.; Russell, R. A.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 533–534; doi:

data_8101077
_publ_section_title
;
Crystal structure of dimethyl 4,5-dimethylene-15-oxahexa-cyclo-[6.6.1.1
^3,6^.1^10,13^.0^2,7^.0^9,14^]heptane heptan-1,8-dicarboxylate, C~22~H~26~O~5~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              533
_journal_page_last               534
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C22 H26 O5 '
_chemical_formula_structural     'C22 H26 O5 '
_chemical_formula_sum            'C22 H26 O5'
_chemical_formula_weight         370.44
_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                 127.58(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   35.926(9)
_cell_length_b                   5.968(4)
_cell_length_c                   22.604(5)
_cell_measurement_temperature    293
_cell_volume                     3841(3)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.281
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C22 H26 O5 '
_cod_database_code               8101077
Crystal structure of 1,3,5,7-tetrabenzyl-2,4,6,8,9,10-hexathia-tricyclo [3.3.1.1^3,7^]decane, C~32~H~28~S~6~
Mahjoub, Ahmed; Zantour, Hédi; Masson, Serge; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 589–590; doi:

data_8101078
_publ_section_title
;
Crystal structure of 1,3,5,7-tetrabenzyl-2,4,6,8,9,10-hexathia-tricyclo
[3.3.1.1^3,7^]decane, C~32~H~28~S~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              589
_journal_page_last               590
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C32 H28 S6'
_chemical_formula_weight         604.90
_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(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.001(5)
_cell_length_b                   14.599(6)
_cell_length_c                   16.974(6)
_cell_measurement_temperature    296(2)
_cell_volume                     2973.4(21)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.351
_refine_ls_R_factor_obs          0.0676
_refine_ls_wR_factor_obs         0.1560
_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               8101078
Crystal structure of 1-(vinylselenonyl)benzene, C~6~H~5~SeO~2~CH=CH~2~
Ward, A. D.; Ward, V. A.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 553–554; doi:

data_8101079
_publ_section_title
;
Crystal structure of 1-(vinylselenonyl)benzene, C~6~H~5~SeO~2~CH=CH~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              553
_journal_page_last               554
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C8 H8 O2 Se '
_chemical_formula_structural     'C8 H8 O2 Se '
_chemical_formula_sum            'C8 H8 O2 Se'
_chemical_formula_weight         215.11
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.865(8)
_cell_length_b                   10.491(4)
_cell_length_c                   15.775(4)
_cell_measurement_temperature    173
_cell_volume                     1633(1)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.750
_cod_original_formula_sum        'C8 H8 O2 Se '
_cod_database_code               8101079
Crystal structure of 2-(2-hydroxy-1-naphthyl)-1-phenyl-1-ethanone, C~18~H~14~O~2~
Jevric, M.; Taylor, D. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 541–542; doi:

data_8101080
_publ_section_title
;
Crystal structure of 2-(2-hydroxy-1-naphthyl)-1-phenyl-1-ethanone, 
C~18~H~14~O~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              541
_journal_page_last               542
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C18 H14 O2 '
_chemical_formula_structural     'C18 H14 O2 '
_chemical_formula_sum            'C18 H14 O2'
_chemical_formula_weight         262.31
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_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                   21.78(2)
_cell_length_b                   12.58(1)
_cell_length_c                   9.694(5)
_cell_measurement_temperature    173
_cell_volume                     2655(3)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.312
_cod_original_formula_sum        'C18 H14 O2 '
_cod_database_code               8101080
Crystal structure of 2-(1-methylnaphtho[2,1-b]furan-2-yl)acetic acid, C~15~H~12~O~3~
Jevric, M.; Taylor, D. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 543–544; doi:

data_8101081
_publ_section_title
;
Crystal structure of 2-(1-methylnaphtho[2,1-b]furan-2-yl)acetic acid, 
C~15~H~12~O~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              543
_journal_page_last               544
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C15 H12 O3 '
_chemical_formula_structural     'C15 H12 O3 '
_chemical_formula_sum            'C15 H12 O3'
_chemical_formula_weight         240.26
_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                99.62(3)
_cell_angle_beta                 100.70(3)
_cell_angle_gamma                107.23(3)
_cell_formula_units_Z            2
_cell_length_a                   8.768(4)
_cell_length_b                   8.984(3)
_cell_length_c                   8.035(3)
_cell_measurement_temperature    173
_cell_volume                     577.2(5)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.382
_cod_original_formula_sum        'C15 H12 O3 '
_cod_database_code               8101081
Refinement of the crystal structure of 2-hydroxyimino-2-phenylacetonitrile, C~8~H~6~N~2~O, at 173 K
Razzino, P.; Ward, A. D.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 549–550; doi:

data_8101082
_publ_section_title
;
Refinement of the crystal structure of 2-hydroxyimino-2-phenylacetonitrile, 
C~8~H~6~N~2~O, at 173 K
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              549
_journal_page_last               550
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C8 H6 N2 O '
_chemical_formula_structural     'C8 H6 N2 O '
_chemical_formula_sum            'C8 H6 N2 O'
_chemical_formula_weight         146.15
_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                 115.95(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.722(2)
_cell_length_b                   11.037(5)
_cell_length_c                   8.301(4)
_cell_measurement_temperature    173
_cell_volume                     718.6(5)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.351
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C8 H6 N2 O '
_cod_database_code               8101082
Crystal structure of (4S*,5R*,6S*)-6-ethoxy-4-[(1R*)-(1-hydroxy-1- phenyl)methyl]-3,5-diphenyl-5,6-dihydro-4H-1,2-oxazine, C~25~H~25~NO~3~
Hartl, H.; Brüdgam, I.; Reissig, H.-U.; Buchholz, M.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 591–592; doi:

data_8101083
_publ_section_title
;
Crystal structure of (4S*,5R*,6S*)-6-ethoxy-4-[(1R*)-(1-hydroxy-1-
phenyl)methyl]-3,5-diphenyl-5,6-dihydro-4H-1,2-oxazine, C~25~H~25~NO~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              591
_journal_page_last               592
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C25 H25 N O3'
_chemical_formula_sum            'C25 H25 N O3'
_chemical_formula_weight         387.46
_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                75.4010(10)
_cell_angle_beta                 89.5260(10)
_cell_angle_gamma                82.4810(10)
_cell_formula_units_Z            2
_cell_length_a                   7.8805(5)
_cell_length_b                   9.5857(6)
_cell_length_c                   14.4571(9)
_cell_measurement_temperature    223
_cell_volume                     1047.40(11)
_diffrn_ambient_temperature      223
_exptl_crystal_density_diffrn    1.229
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value '`triclinic`' was replaced with
'triclinic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8101083
Crystal structure of 1-[(E)-2-[4-(trifluoromethyl)phenyl]-1-ethenyl]- naphthalene, C~19~H~13~F~3~
Jevric, M.; Taylor, D. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 545–546; doi:

data_8101084
_publ_section_title
;
Crystal structure of 1-[(E)-2-[4-(trifluoromethyl)phenyl]-1-ethenyl]-
naphthalene, C~19~H~13~F~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              545
_journal_page_last               546
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C19 H13 F3 '
_chemical_formula_structural     'C19 H13 F3 '
_chemical_formula_sum            'C19 H13 F3'
_chemical_formula_weight         298.31
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.983(5)
_cell_length_b                   26.740(6)
_cell_length_c                   7.120(3)
_cell_measurement_temperature    173
_cell_volume                     2852(2)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.389
_cod_original_formula_sum        'C19 H13 F3 '
_cod_database_code               8101084