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Information card for entry 2242955
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| Coordinates | 2242955.cif |
|---|---|
| Structure factors | 2242955.hkl |
| Original IUCr paper | HTML |
| Common name | Zymonic acid |
|---|---|
| Chemical name | 4-Hydroxy-2-methyl-5-oxo-2,5-dihydrofuran-2-carboxylic acid |
| Formula | C6 H6 O5 |
| Calculated formula | C6 H6 O5 |
| Title of publication | Crystal structure of zymonic acid and a redetermination of its precursor, pyruvic acid |
| Authors of publication | Heger, Dominik; Eugene, Alexis J.; Parkin, Sean R.; Guzman, Marcelo I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 858 - 862 |
| a | 24.145 ± 0.003 Å |
| b | 6.6523 ± 0.0007 Å |
| c | 8.6201 ± 0.0007 Å |
| α | 90° |
| β | 95.169 ± 0.004° |
| γ | 90° |
| Cell volume | 1378.9 ± 0.3 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| 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 |
| Residual factor for all reflections | 0.0431 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215528 (current) | 2019-05-25 | cif/ hkl/ Adding structures of 2242954, 2242955 via cif-deposit CGI script. |
2242955.cif 2242955.hkl |
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Users of the data should acknowledge the original authors of the
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