Crystallography Open Database

Information card for entry 1505092

Preview

Coordinates	1505092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H17 I N2 O2
Calculated formula	C9 H17 I N2 O2
SMILES	COCCOCCn1cc[n+](c1)C.[I-]
Title of publication	Revisiting ether-derivatized imidazolium-based ionic liquids.
Authors of publication	Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.
Journal of publication	The journal of physical chemistry. B
Year of publication	2007
Journal volume	111
Journal issue	34
Pages of publication	10095 - 10108
a	9.7948 ± 0.0013 Å
b	13.0859 ± 0.0012 Å
c	9.9372 ± 0.0014 Å
α	90°
β	103.711 ± 0.012°
γ	90°
Cell volume	1237.4 ± 0.3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1505092.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505092.cif
45338	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505087, 1505088, 1505089, 1505090, 1505091, 1505092 via cif-deposit CGI script.	1505092.cif