Crystallography Open Database

Information card for entry 7248444

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Coordinates	7248444.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
Journal volume	26
Journal issue	19
Pages of publication	2474 - 2490
a	5.7954 ± 0.0003 Å
b	7.1695 ± 0.0003 Å
c	9.3027 ± 0.0005 Å
α	111.803 ± 0.0013°
β	89.4664 ± 0.0016°
γ	111.572 ± 0.0015°
Cell volume	330.1 ± 0.03 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.037
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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