Crystallography Open Database

Information card for entry 7218148

Preview

Coordinates	7218148.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexafluoronaphthalene
Formula	C10 H2 F6
Calculated formula	C10 H2 F6
SMILES	Fc1c2c(c(F)c(F)c1)c(F)cc(F)c2F
Title of publication	Highly fluorinated naphthalenes and bifurcated C‒H⋯F‒C hydrogen bonding
Authors of publication	Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	41
Pages of publication	9711
a	7.7677 ± 0.0011 Å
b	13.5311 ± 0.0018 Å
c	7.9843 ± 0.0011 Å
α	90°
β	106.432 ± 0.006°
γ	90°
Cell volume	804.92 ± 0.19 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
180512 (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 7/21/81.	7218148.cif
124694	2014-10-06	cif/ Updating files of 7218148, 7218149 Original log message: Adding full bibliography for 7218148--7218149.cif.	7218148.cif
123959	2014-09-18	cif/ Adding structures of 7218148, 7218149 via cif-deposit CGI script.	7218148.cif