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Information card for entry 1552509
Preview
| Coordinates | 1552509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H52 B N S Si |
|---|---|
| Calculated formula | C53 H52 B N S Si |
| SMILES | B1(c2c(cccc2)Sc2cc(N3c4ccc(cc4[Si](c4ccccc4)(c4c3ccc(c4)C)c3ccccc3)C)ccc12)c1c(cc(cc1C(C)C)C(C)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 | 16.28 ± 0.03 Å |
| b | 8.916 ± 0.015 Å |
| c | 30.47 ± 0.05 Å |
| α | 90° |
| β | 97.92 ± 0.03° |
| γ | 90° |
| Cell volume | 4381 ± 13 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1209 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1492 |
| Weighted residual factors for all reflections included in the refinement | 0.1773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1552509.cif |
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Users of the data should acknowledge the original authors of the
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