Crystallography Open Database

Information card for entry 7248451

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Coordinates	7248451.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-Decalin (LT form refined in monclinic SG)
Formula	C10 H18
Calculated formula	C10 H18
SMILES	C12CCCCC1CCCC2
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	11.9467 ± 0.0012 Å
b	8.2518 ± 0.0009 Å
c	17.853 ± 0.002 Å
α	90°
β	101.341 ± 0.003°
γ	90°
Cell volume	1725.6 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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