Crystallography Open Database

Information card for entry 1517498

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Coordinates	1517498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 Cl
Calculated formula	C10 H15 Cl
SMILES	C1(Cl)C2CC3CC(CC1C3)C2
Title of publication	Polymorphism in 2-x-adamantane derivatives (x = cl, br).
Authors of publication	Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise
Journal of publication	The journal of physical chemistry. B
Year of publication	2014
Journal volume	118
Journal issue	32
Pages of publication	9595 - 9603
a	25.474 ± 0.005 Å
b	6.6142 ± 0.0008 Å
c	11.9851 ± 0.0017 Å
α	90°
β	118.211 ± 0.014°
γ	90°
Cell volume	1779.5 ± 0.5 Å³
Cell temperature	230 K
Ambient diffraction temperature	230 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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