Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101519
Preview
| Coordinates | 8101519.cif |
|---|
| Formula | C20 H26 N4 O4 |
|---|---|
| Calculated formula | C20 H26 N4 O4 |
| SMILES | [O-]C(=O)C(c1ccccc1)c1ccccc1.O=C([O-])[C@@H]([NH3+])CCCNC(=[NH2+])N |
| Title of publication | Crystal structure of L-argininium diphenylacetate, C~6~H~15~N~4~O~2~ ^+^C~14~H~11~O~2~^‒^ |
| Authors of publication | Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.; Martin-Gil, J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 3 |
| Pages of publication | 326 - 328 |
| a | 9.266 ± 0.003 Å |
| b | 14.659 ± 0.005 Å |
| c | 30.703 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4171 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.179 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
Version history is temporarily not available due to server issues.
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.