Crystallography Open Database

Information card for entry 1515348

Preview

Coordinates	1515348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H60 F6 N4 O6 S2
Calculated formula	C38 H60 F6 N4 O6 S2
SMILES	S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.n1(c[n+](cc1)c1ccc([n+]2cn(cc2)CCCCCCCCCCCC)cc1)CCCCCCCCCCCC
Title of publication	Mesomorphic and ion conducting properties of dialkyl(1,4-phenylene)diimidazolium salts
Authors of publication	Noujeim, Nadim; Samsam, Salim; Eberlin, Ludovic; Sanon, Samantha H.; Rochefort, Dominic; Schmitzer, Andreea R.
Journal of publication	Soft Matter
Year of publication	2012
Journal volume	8
Journal issue	42
Pages of publication	10914
a	8.4599 ± 0.0002 Å
b	8.5465 ± 0.0002 Å
c	16.5655 ± 0.0004 Å
α	81.9423 ± 0.0011°
β	76.9685 ± 0.0011°
γ	72.9996 ± 0.001°
Cell volume	1112.34 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1515348.cif
111147	2014-04-20	cif/ Adding structures of 1515348, 1515349 via cif-deposit CGI script.	1515348.cif