Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7237872
Preview
| Coordinates | 7237872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | phenothiazine |
|---|---|
| Formula | C12 H9 N S |
| Calculated formula | C12 H9 N S |
| Title of publication | The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence |
| Authors of publication | de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P. |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 34 |
| Pages of publication | 10481 |
| a | 5.8254 ± 0.0011 Å |
| b | 7.7897 ± 0.0014 Å |
| c | 20.803 ± 0.004 Å |
| α | 90° |
| β | 94.929 ± 0.005° |
| γ | 90° |
| Cell volume | 940.5 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| 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 | 0.0735 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1322 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238681 (current) | 2019-11-24 | cif/ Adding structures of 7237870, 7237871, 7237872, 7237873, 7237874 via cif-deposit CGI script. |
7237872.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.