Crystallography Open Database

Information card for entry 7248453

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Coordinates	7248453.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-Perfluorodecalin (disordered, crystallized from cis-trans mixture)
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	6.0143 ± 0.0018 Å
b	7.3233 ± 0.0019 Å
c	9.274 ± 0.002 Å
α	111.955 ± 0.009°
β	90.006 ± 0.009°
γ	113.796 ± 0.008°
Cell volume	341.11 ± 0.16 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 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	0.0966
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.2282
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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