Crystallography Open Database

Information card for entry 4101966

4101965 << 4101966 >> 4101967

Preview

Coordinates	4101966.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	22.8234 Å
b	4.7105 Å
c	17.6462 Å
α	90°
β	73.2208°
γ	90°
Cell volume	1816.36 Å³
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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