Crystallography Open Database

Information card for entry 4513358

Preview

Coordinates	4513358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H33 Cl N2 O3
Calculated formula	C14 H33 Cl N2 O3
SMILES	O.O.O.[Cl-].n1(c[n+](cc1)C)CCCCCCCCCC
Title of publication	Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures
Authors of publication	Saouane, Sofiane; Fabbiani, Francesca P. A.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	8
Pages of publication	3875
a	5.2844 ± 0.0005 Å
b	7.0547 ± 0.0004 Å
c	22.364 ± 0.002 Å
α	83.949 ± 0.006°
β	88.487 ± 0.007°
γ	83.478 ± 0.006°
Cell volume	823.63 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0737
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
154573 (current)	2015-09-05	cif/ Updating files of 4513351, 4513352, 4513353, 4513354, 4513355, 4513356, 4513357, 4513358 Original log message: Adding full bibliography for 4513351--4513358.cif.	4513358.cif
139800	2015-07-01	cif/ Adding structures of 4513351, 4513352, 4513353, 4513354, 4513355, 4513356, 4513357, 4513358 via cif-deposit CGI script.	4513358.cif