Crystallography Open Database

Information card for entry 1564306

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Coordinates	1564306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 O3
Calculated formula	C8 H14 O3
SMILES	OC(=O)C(C)(C)C(=O)C(C)C
Title of publication	Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides
Authors of publication	Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William
Journal of publication	Journal of Physical Chemistry
Year of publication	2021
Journal volume	125
Pages of publication	3368 - 3384
a	9.732 Å
b	6.8118 Å
c	26.969 Å
α	90°
β	97.3425°
γ	90°
Cell volume	1773.18 Å³
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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