Crystallography Open Database

Information card for entry 7111558

Preview

Coordinates	7111558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H44 F6 N2 O2
Calculated formula	C27 H44 F6 N2 O2
SMILES	Cn1c[n+](cc1)CCCCCCCCCCCCCCCCCC.C(C(=O)C=C([O-])C(F)(F)F)(F)(F)F
Title of publication	Hydrophobic ionic liquids with strongly coordinating anions
Authors of publication	Mehdi, Hasan; Binnemans, Koen; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	2
Pages of publication	234 - 236
a	7.7419 ± 0.0002 Å
b	9.9974 ± 0.0002 Å
c	37.1893 ± 0.0007 Å
α	93.99 ± 0.001°
β	91.607 ± 0.001°
γ	91.107 ± 0.001°
Cell volume	2869.65 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111558.cif
96661	2014-01-29	cif/ Adding structures of 7111556, 7111557, 7111558, 7111559, 7111560 via cif-deposit CGI script.	7111558.cif