Crystallography Open Database

Information card for entry 7205542

7205541 << 7205542 >> 7205543

Preview

Coordinates	7205542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H24 F3 N O2
Calculated formula	C13 H24 F3 N O2
Title of publication	New ionic liquids from azepane and 3-methylpiperidine exhibiting wide electrochemical windows
Authors of publication	Belhocine, Tayeb; Forsyth, Stewart A.; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Puga, Alberto V.; Seddon, Kenneth R.; Srinivasan, Geetha; Whiston, Keith
Journal of publication	Green Chemistry
Year of publication	2011
Journal volume	13
Journal issue	1
Pages of publication	59
a	12.284 ± 0.0002 Å
b	13.229 ± 0.0002 Å
c	18.391 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2988.63 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b n a
Hall space group symbol	-P 2ac 2b
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2211
Weighted residual factors for all reflections included in the refinement	0.2428
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
180386 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/55.	7205542.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205542.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205542.cif
14928	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205542 via cif-deposit CGI script.	7205542.cif