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Information card for entry 7130260
Preview
| Coordinates | 7130260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H25 Cl2 N O3 |
|---|---|
| Calculated formula | C35 H25 Cl2 N O3 |
| SMILES | ClCCl.O1c2c(N(c3c1cccc3)c1cc(c(c(c1)C)c1cc3c(cc1)C(=O)c1c(C3=O)cccc1)C)cccc2 |
| Title of publication | Long-lived charge separated state and thermally activated delayed fluorescence in anthraquinone-phenoxazine electron donor–acceptor dyads |
| Authors of publication | Zhao, Xiaoyu; Zhao, Jianzhang |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 8.34 ± 0.0008 Å |
| b | 12.8996 ± 0.0014 Å |
| c | 14.2181 ± 0.0015 Å |
| α | 73.215 ± 0.003° |
| β | 73.872 ± 0.003° |
| γ | 85.302 ± 0.003° |
| Cell volume | 1406.8 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.1049 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276135 (current) | 2022-06-22 | cif/ Adding structures of 7130260 via cif-deposit CGI script. |
7130260.cif |
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