Crystallography Open Database

Information card for entry 4101968

4101967 << 4101968 >> 4101969

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Coordinates	4101968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 O
Calculated formula	C10 H14 O
Title of publication	Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy
Authors of publication	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2564 - 2566
a	19.9525 Å
b	4.5351 Å
c	11.0565 Å
α	90°
β	68.2256°
γ	90°
Cell volume	929.083 Å³
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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