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Information card for entry 7134782
Preview
| Coordinates | 7134782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C93 H86 Cl2 N6 |
|---|---|
| Calculated formula | C93 H86 Cl2 N6 |
| Title of publication | Planar chiral orange-red TADF materials with AIE properties for efficient circularly polarized OLEDs |
| Authors of publication | Xiao, Xiong; Liang, Jia-Qi; Hu, Jia-Jun; Yuan, Li; Zhu, Jia-Zhen; Chen, Zong-Ju; Zheng, You-Xuan; Song, You; Li, Cheng-Hui |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 15.8363 ± 0.0007 Å |
| b | 15.8363 ± 0.0007 Å |
| c | 58.867 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14763.2 ± 1.4 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 4 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300290 (current) | 2025-07-03 | cif/ Adding structures of 7134782, 7134783, 7134784 via cif-deposit CGI script. |
7134782.cif |
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Users of the data should acknowledge the original authors of the
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