Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559440
Preview
| Coordinates | 1559440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-Benzoylamino-5-diethylamino-1,6,6alambda4-triselena-3,4-diazapentalene |
|---|---|
| Formula | C14 H16 N4 O Se3 |
| Calculated formula | C14 H N4 O Se3 |
| SMILES | [Se]1[Se]2[Se]C(=NC=2N=C1N(CC)CC)NC(=O)c1ccccc1 |
| Title of publication | Structure of 2-Benzoylamino-5-diethylamino-1,6,6alambda4-triselena-3,4-diazapentalene |
| Authors of publication | Richter, Rainer; Sieler, Joachim; Hansen, Lars K.; Kohler, Ronald; Beyer, Lothar; Hoyer, Eberhard |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 1 - 5 |
| a | 9.364 ± 0.001 Å |
| b | 11.723 ± 0.001 Å |
| c | 17.122 ± 0.002 Å |
| α | 90.903 ± 0.008° |
| β | 101.783 ± 0.009° |
| γ | 104.72 ± 0.009° |
| Cell volume | 1775 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258672 (current) | 2020-11-02 | cif/ Adding structures of 1559440 via cif-deposit CGI script. |
1559440.cif |
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.