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Information card for entry 7123532
Preview
| Coordinates | 7123532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H19 B O2 S2 |
|---|---|
| Calculated formula | C18 H19 B O2 S2 |
| Title of publication | Achieving high-efficiency purely organic room-temperature phosphorescence from boronic ester substitution of phenoxathiine |
| Authors of publication | Li, Mengke; Cai, Xinyi; Qiao, Zhenyang; Liu, Kunkun; Xie, Wentao; Wang, Liangying; Zheng, Nan; Su, Shi-Jian |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 6.4631 ± 0.0001 Å |
| b | 10.9896 ± 0.0002 Å |
| c | 11.8559 ± 0.0003 Å |
| α | 90° |
| β | 90.511 ± 0.002° |
| γ | 90° |
| Cell volume | 842.05 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.9 K |
| Ambient diffraction temperature | 100 ± 0.9 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1274 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| 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 |
|---|---|---|---|
| 215459 (current) | 2019-05-24 | cif/ Adding structures of 7123531, 7123532, 7123533, 7123534 via cif-deposit CGI script. |
7123532.cif |
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Users of the data should acknowledge the original authors of the
structural data.