Crystallography Open Database

Information card for entry 7248445

Preview

Coordinates	7248445.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-Perfluorodecalin
Formula	C10 F18
Calculated formula	C10 F18
Title of publication	Structural chemistry of decalins and perfluorodecalins
Authors of publication	Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Journal of publication	CrystEngComm
Year of publication	2024
a	5.7499 ± 0.0003 Å
b	7.1098 ± 0.0003 Å
c	9.2311 ± 0.0005 Å
α	111.689 ± 0.0011°
β	89.194 ± 0.0014°
γ	111.435 ± 0.0013°
Cell volume	323.19 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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/7248445.html