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Information card for entry 4516513
Preview
| Coordinates | 4516513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (S)-(-)-malic acid urea addition compound |
|---|---|
| Chemical name | '(S)-(-)-hydroxysuccinic acid urea addition compound' |
| Formula | C5 H10 N2 O6 |
| Calculated formula | C5 H10 N2 O6 |
| Title of publication | Electron Density Distribution of Urea in Co-crystals with Rigid and Flexible Dicarboxylic Acids |
| Authors of publication | Krawczuk, Anna; Gryl, Marlena; Pitak, Mateusz B.; Stadnicka, Katarzyna |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 5578 |
| a | 6.6411 ± 0.0002 Å |
| b | 6.9162 ± 0.0002 Å |
| c | 9.0495 ± 0.0002 Å |
| α | 90° |
| β | 94.697 ± 0.001° |
| γ | 90° |
| Cell volume | 414.26 ± 0.02 Å3 |
| Cell temperature | 80 ± 2 K |
| Ambient diffraction temperature | 80 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.021 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for all reflections included in the refinement | 0.025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.904 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231350 (current) | 2019-11-22 | cif/ Adding structures of 4516513 via cif-deposit CGI script. |
4516513.cif |
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