Crystallography Open Database

Information card for entry 4101961

4101960 << 4101961 >> 4101962

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Coordinates	4101961.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	22.7159 Å
b	22.7159 Å
c	9.2069 Å
α	90°
β	90°
γ	120°
Cell volume	4114.38 Å³
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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