Crystallography Open Database

Information card for entry 7248455

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Coordinates	7248455.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-Perfluorodecalin
Formula	C10 F18
Calculated formula	C9.99 F17.982
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	17.0062 ± 0.0011 Å
b	6.2091 ± 0.0003 Å
c	13.0007 ± 0.0008 Å
α	90°
β	105.502 ± 0.0018°
γ	90°
Cell volume	1322.85 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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