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Information card for entry 7243134
Preview
| Coordinates | 7243134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | GABA-L-tartaric acid (1:1) monohydrate |
|---|---|
| Chemical name | GABA-L-tartaric acid (1:1) monohydrate |
| Formula | C8 H17 N O9 |
| Calculated formula | C8 H17 N O9 |
| SMILES | O=C(O)[C@H](O)[C@@H](O)C(=O)[O-].[NH3+]CCCC(=O)O.O |
| Title of publication | A new monohydrated molecular salt of GABA with l-tartaric acid: the structure-forming role of water |
| Authors of publication | Losev, E. A.; Pishchur, D. P.; Boldyreva, E. V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 35 |
| Pages of publication | 6086 - 6092 |
| a | 6.1846 ± 0.0002 Å |
| b | 27.8403 ± 0.0008 Å |
| c | 7.4558 ± 0.0002 Å |
| α | 90° |
| β | 109.007 ± 0.003° |
| γ | 90° |
| Cell volume | 1213.76 ± 0.07 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269687 (current) | 2021-10-06 | cif/ Updating files of 7243134 Original log message: Adding full bibliography for 7243134.cif. |
7243134.cif |
| 266924 | 2021-07-03 | cif/ Adding structures of 7243134 via cif-deposit CGI script. |
7243134.cif |
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Users of the data should acknowledge the original authors of the
structural data.