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Information card for entry 1574425
Preview
| Coordinates | 1574425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H12 S2 |
|---|---|
| Calculated formula | C18 H12 S2 |
| 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 | 11.4034 ± 0.0005 Å |
| b | 11.4007 ± 0.0004 Å |
| c | 21.3464 ± 0.0009 Å |
| α | 90° |
| β | 97.826 ± 0.002° |
| γ | 90° |
| Cell volume | 2749.33 ± 0.19 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0493 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1574425.cif |
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Users of the data should acknowledge the original authors of the
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