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

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