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Information card for entry 7229993
Preview
| Coordinates | 7229993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | L-malic acid |
|---|---|
| Formula | C4 H6 O5 |
| Calculated formula | C4 H6 O5 |
| SMILES | OC(=O)[C@@H](O)CC(=O)O |
| Title of publication | l-Malic acid crystallization: polymorphism, semi-spherulites, twisting, and polarity |
| Authors of publication | Yang, Jingxiang; Hu, Chunhua T.; Shtukenberg, Alexander G.; Yin, Qiuxiang; Kahr, Bart |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 10 |
| Pages of publication | 1383 |
| a | 5.7343 ± 0.0006 Å |
| b | 6.799 ± 0.0007 Å |
| c | 6.9949 ± 0.0007 Å |
| α | 90° |
| β | 104.961 ± 0.001° |
| γ | 90° |
| Cell volume | 263.47 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0304 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229993.cif |
| 228893 | 2019-11-17 | cif/ Updating files of 7229993 Original log message: Adding full bibliography for 7229993.cif. |
7229993.cif |
| 205342 | 2018-01-18 | cif/ Adding structures of 7229993 via cif-deposit CGI script. |
7229993.cif |
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Users of the data should acknowledge the original authors of the
structural data.