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Information card for entry 7129555
Preview
| Coordinates | 7129555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 N2 O |
|---|---|
| Calculated formula | C18 H10 N2 O |
| SMILES | o1c2c(c3c4nc5c(nc4ccc13)cccc5)cccc2 |
| 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 | 25.483 ± 0.003 Å |
| b | 3.8577 ± 0.0003 Å |
| c | 25.757 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2532.1 ± 0.5 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1727 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.2076 |
| Weighted residual factors for all reflections included in the refinement | 0.271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
7129555.cif |
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Users of the data should acknowledge the original authors of the
structural data.