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Information card for entry 7129557
Preview
| Coordinates | 7129557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H13 F2 N3 |
|---|---|
| Calculated formula | C24 H13 F2 N3 |
| SMILES | Fc1cc2nc3ccc4n(c5ccccc5)c5c(c4c3nc2cc1F)cccc5 |
| Title of publication | An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine |
| Authors of publication | Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 6.9727 ± 0.0012 Å |
| b | 21.106 ± 0.002 Å |
| c | 13.7772 ± 0.0018 Å |
| α | 90° |
| β | 120.245 ± 0.003° |
| γ | 90° |
| Cell volume | 1751.5 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1016 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| 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 |
|---|---|---|---|
| 272009 (current) | 2022-01-13 | cif/ Adding structures of 7129552, 7129553, 7129554, 7129555, 7129556, 7129557, 7129558, 7129559 via cif-deposit CGI script. |
7129557.cif |
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Users of the data should acknowledge the original authors of the
structural data.