Information card for entry 2011307

Structure parameters

• Common name: mesitylglyoxylic acid
• Chemical name: α-oxo-2,4,6-trimethylbenzeneacetic acid
• Formula: C11 H12 O3
• Calculated formula: C11 H12 O3
• Title of publication: Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids
• Authors of publication: Chen, Chung-Der; Brunskill, Andrew P. J.; Hall, Stan S.; Lalancette, Roger A.; Thompson, Hugh W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1148 - 1151
• a: 9.121 ± 0.001 Å
• b: 9.121 ± 0.001 Å
• c: 10.576 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 761.97 ± 0.14 ų
• Cell temperature: 248 ± 2 K
• Ambient diffraction temperature: 248 ± 2 K
• Number of distinct elements: 3
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes