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Information card for entry 1575837
Preview
| Coordinates | 1575837.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H70 B Cl3 N5 |
|---|---|
| Calculated formula | C79 H70 B Cl3 N5 |
| Title of publication | Enhancing the Reverse Intersystem Crossing (RISC) Rates and Efficiencies of MR-TADF Emitters with a U-shaped Molecular Structure for Solution-Processed OLEDs |
| Authors of publication | Xu, Shipan; Liu, Wenping; An, Yan; Du, Xuyang; Sun, Yuanhui; Tao, Junfei; Zhou, Guijiang; Chen, Zhao; Yang, Xiaolong |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 22.8695 ± 0.0006 Å |
| b | 9.7003 ± 0.0002 Å |
| c | 30.5929 ± 0.0009 Å |
| α | 90° |
| β | 104.738 ± 0.001° |
| γ | 90° |
| Cell volume | 6563.5 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| 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 | 0.131 |
| Residual factor for significantly intense reflections | 0.0875 |
| Weighted residual factors for significantly intense reflections | 0.2576 |
| Weighted residual factors for all reflections included in the refinement | 0.2927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302197 (current) | 2025-09-20 | cif/ Adding structures of 1575837, 1575838 via cif-deposit CGI script. |
1575837.cif |
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Users of the data should acknowledge the original authors of the
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