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Information card for entry 2021870
Preview
| Coordinates | 2021870.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N,N'-diphenylguanidinium nitrate |
|---|---|
| Formula | C13 H14 N4 O3 |
| Calculated formula | C13 H14 N4 O3 |
| SMILES | O=N(=O)[O-].N(C(=[NH2+])Nc1ccccc1)c1ccccc1 |
| Title of publication | N,N'-Diphenylguanidinium Nitrate |
| Authors of publication | Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L. |
| Journal of publication | Acta Crystallographica Section C Crystal Structure Communications |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 805 |
| a | 17.02 ± 0.004 Å |
| b | 13.906 ± 0.003 Å |
| c | 5.811 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1375.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.916 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246030 (current) | 2019-12-26 | cif/ Adding structures of 2021870 via cif-deposit CGI script. |
2021870.cif |
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