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Information card for entry 7125632
Preview
| Coordinates | 7125632.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H42 N2 O4 S2 |
|---|---|
| Calculated formula | C49 H42 N2 O4 S2 |
| Title of publication | Fused twin-acridine scaffolds as electron donors for thermally activated delayed fluorescence emitters: controllable TADF behavior by methyl substitution |
| Authors of publication | Chai, Danyang; Zou, Yang; Xiang, Yepeng; Zeng, Xuan; Chen, Zhanxiang; Gong, Shaolong; Yang, Chuluo |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 13.6124 ± 0.0001 Å |
| b | 11.8701 ± 0.0001 Å |
| c | 24.4095 ± 0.0002 Å |
| α | 90° |
| β | 91.63 ± 0.001° |
| γ | 90° |
| Cell volume | 3942.5 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0415 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244816 (current) | 2019-11-30 | cif/ Adding structures of 7125631, 7125632, 7125633 via cif-deposit CGI script. |
7125632.cif |
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Users of the data should acknowledge the original authors of the
structural data.