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Information card for entry 7245605
Preview
| Coordinates | 7245605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | oxaloacetic acid |
|---|---|
| Formula | C4 H4 O5 |
| Calculated formula | C4 H4 O5 |
| Title of publication | Anisotropy, Segmental Dynamics and Polymorphism of Crystalline Biogenic Carboxylic Acids |
| Authors of publication | Pokorny, Vaclav; Touš, Petr; Stejfa, Vojtech; R°užička, Květoslav; Rohlíček, Jan; Czernek, Jiri; Brus, Jiri; Cervinka, Ctirad |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2022 |
| a | 8.69237 ± 0.00014 Å |
| b | 6.06857 ± 0.00009 Å |
| c | 5.58397 ± 0.0001 Å |
| α | 90° |
| β | 120.797 ± 0.001° |
| γ | 90° |
| Cell volume | 253.02 ± 0.008 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections | 0.0979 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Goodness-of-fit parameter for all reflections | 11.2694 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278350 (current) | 2022-10-05 | cif/ Adding structures of 7245605 via cif-deposit CGI script. |
7245605.cif |
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