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Information card for entry 1575838
Preview
| Coordinates | 1575838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H67 B Cl3 N3 |
|---|---|
| Calculated formula | C75 H67 B Cl3 N3 |
| 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 | 16.5112 ± 0.0009 Å |
| b | 18.8723 ± 0.001 Å |
| c | 21.3924 ± 0.0011 Å |
| α | 104.317 ± 0.002° |
| β | 109.622 ± 0.002° |
| γ | 92.396 ± 0.002° |
| Cell volume | 6026.7 ± 0.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0882 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1998 |
| Weighted residual factors for all reflections included in the refinement | 0.2206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1575838.cif |
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Users of the data should acknowledge the original authors of the
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