Crystallography Open Database

Information card for entry 2000485

2000484 << 2000485 >> 2000486

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Coordinates	2000485.cif
Original IUCr paper	HTML

Structure parameters

Formula	C14 H20 O2
Calculated formula	C14 H20 O2
SMILES	CCC(=O)c1c(C)ccc(c1O)C(C)(C)C
Title of publication	Structure of 1-[3-(1,1-dimethylethyl)-2-hydroxy-6-methylphenyl]-1-propanone
Authors of publication	Bois, C.; Martin, R.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	11
Pages of publication	2060 - 2061
a	16.2 ± 0.002 Å
b	7.182 ± 0.002 Å
c	13.758 ± 0.002 Å
α	90°
β	126.99 ± 0.01°
γ	90°
Cell volume	1278.6 ± 0.5 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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