Crystallography Open Database

Information card for entry 4513670

Preview

Coordinates	4513670.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[C1C12triaz]I
Formula	C15 H30 I N3
Calculated formula	C15 H30 I N3
Title of publication	Mesophase Stabilization in Ionic Liquid Crystals through Pairing Equally Shaped Mesogenic Cations and Anions
Authors of publication	Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja-Verena
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	11
Pages of publication	5388
a	5.6056 ± 0.0006 Å
b	8.907 ± 0.001 Å
c	19.523 ± 0.003 Å
α	79.8 ± 0.02°
β	83.5 ± 0.02°
γ	81.78 ± 0.02°
Cell volume	945.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4513670.cif
170051	2015-11-06	cif/ Updating files of 4513670, 4513671 Original log message: Adding full bibliography for 4513670--4513671.cif.	4513670.cif
169389	2015-10-21	cif/ Adding structures of 4513670 via cif-deposit CGI script.	4513670.cif