Crystallography Open Database

Information card for entry 7104437

Preview

Structure parameters

Formula	C21 H17 F10 N3
Calculated formula	C21 H17 F10 N3
SMILES	c1(c(c(c(c(c1F)F)F)F)F)[N-]c1c(c(c(c(c1F)F)F)F)F.c1(C)n(cc[n+]1CCCC)C
Title of publication	Three novel anions based on pentafluorophenyl amine combined with two new synthetic strategies for the synthesis of highly lipophilic ionic liquids.
Authors of publication	Linder, Thomas; Sundermeyer, Jörg
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	20
Pages of publication	2914 - 2916
a	9.8625 ± 0.0011 Å
b	10.3192 ± 0.0012 Å
c	10.8965 ± 0.0012 Å
α	81.843 ± 0.013°
β	80.651 ± 0.013°
γ	75.228 ± 0.013°
Cell volume	1052.2 ± 0.2 Å³
Cell temperature	466 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0433
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7104437.html