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Information card for entry 2000414
Preview
| Coordinates | 2000414.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | tetra(2-pyridyl)pyrazine |
|---|---|
| Chemical name | 2,3,4,6-tetra(2-pyridyl)pyrazine |
| Formula | C24 H16 N6 |
| Calculated formula | C24 H16 N6 |
| SMILES | c1ccc(nc1)c1nc(c2ccccn2)c(nc1c1ccccn1)c1ccccn1 |
| Title of publication | A tetragonal form of tetra(2-pyridyl)pyrazine (TPPZ) |
| Authors of publication | Greaves, B.; Stoeckli-Evans, H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 12 |
| Pages of publication | 2269 - 2271 |
| a | 17.121 ± 0.001 Å |
| b | 17.121 ± 0.001 Å |
| c | 13.241 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3881.3 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections | 0.072 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Goodness-of-fit parameter for significantly intense reflections | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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