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Information card for entry 7219316
Preview
| Coordinates | 7219316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C2 H5 N O2 |
|---|---|
| Calculated formula | C2 H5 N O2 |
| SMILES | [O-]C(=O)C[NH3+] |
| Title of publication | Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine |
| Authors of publication | Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 7 |
| Pages of publication | 1513 |
| a | 7.0051 ± 0.0003 Å |
| b | 7.0051 ± 0.0003 Å |
| c | 5.4758 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 232.706 ± 0.016 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 144 |
| Hermann-Mauguin space group symbol | P 31 |
| Hall space group symbol | P 31 |
| Residual factor for all reflections | 0.0269 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.668 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7219316.cif |
| 180524 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93. |
7219316.cif |
| 133161 | 2015-03-06 | cif/ Updating files of 7219316, 7219317, 7219318, 7219319 Original log message: Adding full bibliography for 7219316--7219319.cif. |
7219316.cif |
| 129681 | 2015-01-16 | cif/ Adding structures of 7219316, 7219317, 7219318, 7219319 via cif-deposit CGI script. |
7219316.cif |
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Users of the data should acknowledge the original authors of the
structural data.