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Information card for entry 1566071
Preview
| Coordinates | 1566071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H54 B N3 |
|---|---|
| Calculated formula | C51 H54 B N3 |
| Title of publication | Multi-resonant thermally activated delayed fluorescence emitters based on tetracoordinate boron-containing PAHs: colour tuning based on the nature of chelates |
| Authors of publication | Meng, Guoyun; Liu, Lijie; He, Zhechang; Hall, David; Wang, Xiang; Peng, Tai; Yin, Xiaodong; Chen, Pangkuan; Beljonne, David; Olivier, Yoann; Zysman-Colman, Eli; Wang, Nan; Wang, Suning |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 15.4761 ± 0.0018 Å |
| b | 32.994 ± 0.003 Å |
| c | 18.061 ± 0.0018 Å |
| α | 90° |
| β | 87° |
| γ | 90° |
| Cell volume | 9209.6 ± 1.6 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180.15 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1417 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1644 |
| Weighted residual factors for all reflections included in the refinement | 0.1838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272164 (current) | 2022-01-21 | cif/ Adding structures of 1566071, 1566072 via cif-deposit CGI script. |
1566071.cif |
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Users of the data should acknowledge the original authors of the
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