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Information card for entry 4001652
Preview
| Coordinates | 4001652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4-di-p-toluidinoanthraquinone |
|---|---|
| Formula | C28 H22 N2 O2 |
| Calculated formula | C28 H22 N2 O2 |
| SMILES | O=C1c2c(Nc3ccc(cc3)C)ccc(Nc3ccc(cc3)C)c2C(=O)c2c1cccc2 |
| Title of publication | Orientational Dependence of the Color and Photoconductivity of 1,4-Di-p-toluidinoanthraquinone Single Crystals |
| Authors of publication | Saito, Toshiro; Liu, Chong-yang; Lynch, Vincent M.; Bard, Allen J. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 1997 |
| Journal volume | 9 |
| Journal issue | 6 |
| Pages of publication | 1318 |
| a | 3.9494 ± 0.0006 Å |
| b | 26.391 ± 0.008 Å |
| c | 19.93 ± 0.004 Å |
| α | 90° |
| β | 95.3 ± 0.02° |
| γ | 90° |
| Cell volume | 2068.4 ± 0.8 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2054 |
| Residual factor for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections | 0.1883 |
| Weighted residual factors for significantly intense reflections | 0.1339 |
| Goodness-of-fit parameter for all reflections | 1.028 |
| Goodness-of-fit parameter for significantly intense reflections | 1.255 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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