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Information card for entry 7108823
Preview
| Coordinates | 7108823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H16 N4 |
|---|---|
| Calculated formula | C32 H16 N4 |
| SMILES | N#CC(=C1c2c(ccc(c3ccccc3)c2)C(=C(C#N)C#N)c2cc(ccc12)c1ccccc1)C#N |
| Title of publication | Aggregation-induced emission enhancement based on 11,11,12,12,-tetracyano-9,10-anthraquinodimethane |
| Authors of publication | Jie Liu; Qing Meng; Xiaotao Zhang; Xiuqiang Lu; Ping He; Lang Jiang; Huanli Dong; Wenping Hu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 12 |
| Pages of publication | 1199 - 1201 |
| a | 18.945 ± 0.004 Å |
| b | 9.072 ± 0.0018 Å |
| c | 14.608 ± 0.003 Å |
| α | 90° |
| β | 111.45 ± 0.03° |
| γ | 90° |
| Cell volume | 2336.8 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1089 |
| Residual factor for significantly intense reflections | 0.098 |
| Weighted residual factors for significantly intense reflections | 0.2497 |
| Weighted residual factors for all reflections included in the refinement | 0.2588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.377 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.