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Information card for entry 7237861
Preview
| Coordinates | 7237861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H66 N2 S |
|---|---|
| Calculated formula | C58 H66 N2 S |
| Title of publication | Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor |
| Authors of publication | Huang, Rongjuan; Kukhta, Nadzeya A.; Ward, Jonathan S.; Danos, Andrew; Batsanov, Andrei S.; Bryce, Martin R.; Dias, Fernando B. |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 42 |
| Pages of publication | 13224 |
| a | 9.7054 ± 0.0005 Å |
| b | 12.0521 ± 0.0006 Å |
| c | 21.3945 ± 0.001 Å |
| α | 83.6147 ± 0.0019° |
| β | 88.817 ± 0.002° |
| γ | 74.1306 ± 0.0018° |
| Cell volume | 2392.1 ± 0.2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0652 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238671 (current) | 2019-11-24 | cif/ Adding structures of 7237859, 7237860, 7237861, 7237862 via cif-deposit CGI script. |
7237861.cif |
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Users of the data should acknowledge the original authors of the
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