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Information card for entry 2010410
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| Coordinates | 2010410.cif |
|---|
| Formula | C22 H21 N3 O |
|---|---|
| Calculated formula | C22 H21 N3 O |
| SMILES | c1(ccccc1)C(=N/c1ccc(cc1)N(C)C)/C=N(=O)c1ccccc1 |
| Title of publication | Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System |
| Authors of publication | Olszewski, Piotr K.; Stadnicka, Katarzyna |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Pages of publication | 98 - 103 |
| a | 8.989 ± 0.003 Å |
| b | 9.6878 ± 0.0011 Å |
| c | 41.67 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3628.8 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.