Crystallography Open Database

Information card for entry 7219410

7219409 << 7219410 >> 7219411

Preview

Coordinates	7219410.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[C1C12triaz]Br
Formula	C15 H30 Br N3
Calculated formula	C15 H30 Br N3
SMILES	n1(n[n+](cc1)CCCCCCCCCCCC)C.[Br-]
Title of publication	Triazolium Based Ionic Liquid Crystals: Effect of Asymmetric Substitution
Authors of publication	Mudring, Anja-Verena; Stappert, Kathrin
Journal of publication	RSC Adv.
Year of publication	2015
a	5.4934 ± 0.0017 Å
b	8.7114 ± 0.0015 Å
c	19.501 ± 0.005 Å
α	78.91 ± 0.02°
β	85.39 ± 0.03°
γ	84.046 ± 0.017°
Cell volume	909.1 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0483
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
180525 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219410.cif
130161	2015-01-28	cif/ Adding structures of 7219410, 7219411, 7219412 via cif-deposit CGI script.	7219410.cif