Crystallography Open Database

Information card for entry 1515752

Preview

Coordinates	1515752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H38 Cl N O
Calculated formula	C21 H38 Cl N O2
SMILES	[Cl-].C(CCCCCCCCCCCCCCC)[n+]1ccc(cc1)O.O
Title of publication	Ionic liquid crystals derived from 4-hydroxypyridine
Authors of publication	Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.
Journal of publication	Soft Matter
Year of publication	2011
Journal volume	7
Journal issue	7
Pages of publication	3491
a	5.0633 ± 0.0002 Å
b	7.8476 ± 0.0003 Å
c	28.8648 ± 0.0009 Å
α	92.227 ± 0.002°
β	93.436 ± 0.002°
γ	102.045 ± 0.002°
Cell volume	1118.12 ± 0.07 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0983
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.171
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515752.cif
112003	2014-04-28	cif/ Adding structures of 1515751, 1515752, 1515753 via cif-deposit CGI script.	1515752.cif