Crystallography Open Database

Information card for entry 2000680

2000679 << 2000680 >> 2000681

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Coordinates	2000680.cif
Original IUCr paper	HTML

Structure parameters

Formula	C9 H18 O3
Calculated formula	C9 H18 O3
SMILES	O=C(CC(O)(C)C)CC(O)(C)C
Title of publication	Structure of 2,6-dihydroxy-2,6-dimethylheptan-4-one
Authors of publication	Romero, R. R.; Cervantes-Lee, F.; Porter, L. C.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	8
Pages of publication	1442 - 1444
a	10.496 ± 0.003 Å
b	17.305 ± 0.004 Å
c	7.5 ± 0.002 Å
α	90°
β	128.94 ± 0.02°
γ	90°
Cell volume	1059.6 ± 0.6 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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