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Information card for entry 1564696
Preview
| Coordinates | 1564696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H11 N S2 |
|---|---|
| Calculated formula | C18 H11 N S2 |
| SMILES | S1c2c(Sc3c1cc1c([nH]c4c1cccc4)c3)cccc2 |
| Title of publication | Boosting Purely Organic Room-Temperature Phosphorescence Performance through Host-Guest Strategy |
| Authors of publication | Li, Mengke; Cai, Xinyi; Chen, Zijian; Liu, Kunkun; Qiu, Weidong; Xie, Wentao; Wang, Liangying; Su, Shi-Jian |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 6.1703 ± 0.0003 Å |
| b | 7.5854 ± 0.0005 Å |
| c | 28.631 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1340.05 ± 0.13 Å3 |
| Cell temperature | 119.99 ± 0.13 K |
| Ambient diffraction temperature | 119.99 ± 0.13 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.171 |
| Weighted residual factors for all reflections included in the refinement | 0.1746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269218 (current) | 2021-09-21 | cif/ Adding structures of 1564695, 1564696 via cif-deposit CGI script. |
1564696.cif |
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