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Information card for entry 1552510
Preview
| Coordinates | 1552510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H46 B N S |
|---|---|
| Calculated formula | C43 H46 B N S |
| SMILES | S1c2cc(ccc2B(c2c1cccc2)c1c(cc(cc1C(C)C)C(C)C)C(C)C)n1c2c(cc(cc2c2c1c(cc(c2)C)C)C)C |
| Title of publication | Blue thermally activated delayed fluorescence emitters incorporating acridan analogues with heavy group 14 elements for high-efficiency doped and non-doped OLEDs |
| Authors of publication | Matsuo, Kyohei; Yasuda, Takuma |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.103 ± 0.008 Å |
| b | 12.791 ± 0.01 Å |
| c | 13.778 ± 0.012 Å |
| α | 84.552 ± 0.016° |
| β | 86.292 ± 0.018° |
| γ | 83.85 ± 0.02° |
| Cell volume | 1760 ± 2 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 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 | 0.124 |
| Residual factor for significantly intense reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.2131 |
| Weighted residual factors for all reflections included in the refinement | 0.3052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220519 (current) | 2019-10-30 | cif/ Adding structures of 1552509, 1552510, 1552511, 1552512 via cif-deposit CGI script. |
1552510.cif |
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Users of the data should acknowledge the original authors of the
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