Crystallography Open Database

Information card for entry 7203251

7203250 << 7203251 >> 7203252

Preview

Coordinates	7203251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H61 Br N2 O
Calculated formula	C31 H61 Br N2 O
SMILES	[Br-].OC(Cn1c[n+](cc1)CCCCCCCCCCCCCC)CCCCCCCCCCCC
Title of publication	Ionic liquid crystals of imidazolium salts with a pendant hydroxyl group
Authors of publication	Chiou, Josh Y. Z.; Chen, J. N.; Lei, J. S.; Lin, Ivan J. B.
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	29
Pages of publication	2972
a	27.0966 ± 0.0012 Å
b	9.2018 ± 0.0004 Å
c	13.7101 ± 0.0005 Å
α	90°
β	95.859 ± 0.002°
γ	90°
Cell volume	3400.6 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1252
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	0.795
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180363 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/32.	7203251.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7203251.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203251.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203251.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7203251.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203251.cif