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Information card for entry 7132179
Preview
| Coordinates | 7132179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | glycine, beta polymorph |
|---|---|
| Chemical name | aminoacetic acid, beta polymorph |
| Formula | C2 H5 N O2 |
| Calculated formula | C2 H5 N O2 |
| SMILES | [O-]C(=O)C[NH3+] |
| Title of publication | Single crystal formation in core-shell capsules. |
| Authors of publication | Mettler, Marie; Dewandre, Adrien; Tumanov, Nikolay; Wouters, Johan; Septavaux, Jean |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2023 |
| a | 5.0947 ± 0.0006 Å |
| b | 6.2681 ± 0.0005 Å |
| c | 5.3883 ± 0.0006 Å |
| α | 90° |
| β | 113.232 ± 0.014° |
| γ | 90° |
| Cell volume | 158.12 ± 0.03 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295.15 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 | 0.0514 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286826 (current) | 2023-10-07 | cif/ Adding structures of 7132177, 7132178, 7132179 via cif-deposit CGI script. |
7132179.cif |
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