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Information card for entry 2011307
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| Coordinates | 2011307.cif |
|---|---|
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 | No |
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