Crystallography Open Database

Information card for entry 7248458

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Coordinates	7248458.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-Decalin (LT form refined in triclinic SG)
Formula	C10 H18
Calculated formula	C10 H18
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	8.2665 ± 0.0007 Å
b	10.5475 ± 0.0007 Å
c	11.9704 ± 0.0009 Å
α	113.554 ± 0.002°
β	90.201 ± 0.003°
γ	112.704 ± 0.002°
Cell volume	867.12 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.05
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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