Information card for entry 1564307

Structure parameters

• Formula: C6 H10 O3
• Calculated formula: C6 H10 O3
• SMILES: OC(=O)C(C)(C)C(=O)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: 9.5742 Å
• b: 7.399 Å
• c: 10.2346 Å
• α: 90°
• β: 107.188°
• γ: 90°
• Cell volume: 692.633 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No