Information card for entry 1564305

Structure parameters

• Formula: C4 H6 O3
• Calculated formula: C4 H6 O3
• 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: 8.8991 Å
• b: 9.1263 Å
• c: 13.7411 Å
• α: 102.509°
• β: 94.403°
• γ: 112.207°
• Cell volume: 993.032 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No