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Information card for entry 1574423
Preview
| Coordinates | 1574423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 S2 |
|---|---|
| Calculated formula | C12 H8 Du4 S2 |
| SMILES | S1c2c(Sc3c1cccc3)cccc2 |
| Title of publication | Tuning Intramolecular Charge Transfer and Suppressing Rotations in Thianthrene Derivatives for Enhancement of Room-Temperature Phosphorescence |
| Authors of publication | Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 11.8295 ± 0.0007 Å |
| b | 6.0362 ± 0.0003 Å |
| c | 14.3214 ± 0.0009 Å |
| α | 90° |
| β | 109.685 ± 0.003° |
| γ | 90° |
| Cell volume | 962.86 ± 0.1 Å3 |
| 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 | 0.038 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299339 (current) | 2025-04-22 | cif/ Adding structures of 1574423, 1574424, 1574425, 1574426 via cif-deposit CGI script. |
1574423.cif |
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Users of the data should acknowledge the original authors of the
structural data.