Crystallography Open Database

Information card for entry 7052248

Preview

Coordinates	7052248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H37 Br N2 O
Calculated formula	C23 H37 Br N2 O
SMILES	[Br-].O(c1ccc(Cn2c[n+](cc2)C)cc1)CCCCCCCCCCCC
Title of publication	New ionic liquid crystals based on imidazolium salts
Authors of publication	Dobbs, William; Douce, Laurent; Allouche, Lionel; Louati, Alain; Malbosc, François; Welter, Richard
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	4
Pages of publication	528
a	8.761 ± 0.0002 Å
b	9.762 ± 0.0003 Å
c	27.257 ± 0.0013 Å
α	93.675 ± 0.0013°
β	96.278 ± 0.0012°
γ	95.237 ± 0.004°
Cell volume	2301.03 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
180076 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/22.	7052248.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052248.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052248.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7052248.cif