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Information card for entry 1574426
Preview
| Coordinates | 1574426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H14 S2 |
|---|---|
| Calculated formula | C18.4328 H11.5592 S1.81225 |
| 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 | 20.081 ± 0.003 Å |
| b | 11.1282 ± 0.0017 Å |
| c | 29.075 ± 0.005 Å |
| α | 90° |
| β | 91.588 ± 0.007° |
| γ | 90° |
| Cell volume | 6494.8 ± 1.8 Å3 |
| Cell temperature | 197 K |
| Ambient diffraction temperature | 197 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1574426.cif |
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Users of the data should acknowledge the original authors of the
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