Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123534
Preview
| Coordinates | 7123534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 O S |
|---|---|
| Calculated formula | C12 H8 O S |
| 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 | 5.8619 ± 0.0002 Å |
| b | 7.6914 ± 0.0003 Å |
| c | 20.4081 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 920.12 ± 0.06 Å3 |
| Cell temperature | 110.2 ± 0.8 K |
| Ambient diffraction temperature | 110.2 ± 0.8 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1929 |
| Weighted residual factors for all reflections included in the refinement | 0.1948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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. |
7123534.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.