Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238008
Preview
| Coordinates | 7238008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H39 N3 O2 |
|---|---|
| Calculated formula | C49 H39 N3 O2 |
| Title of publication | Effects of intramolecular hydrogen bonding on the conformation and luminescence properties of dibenzoylpyridine-based thermally activated delayed fluorescence materials |
| Authors of publication | Pandidurai, Jayabalan; Jayakumar, Jayachandran; Senthilkumar, Natarajan; Cheng, Chien-Hong |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 42 |
| Pages of publication | 13104 |
| a | 9.108 ± 0.0005 Å |
| b | 9.7627 ± 0.0005 Å |
| c | 20.9805 ± 0.001 Å |
| α | 97.767 ± 0.002° |
| β | 97.52 ± 0.002° |
| γ | 98.633 ± 0.002° |
| Cell volume | 1805.61 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1379 |
| Residual factor for significantly intense reflections | 0.1039 |
| Weighted residual factors for significantly intense reflections | 0.2587 |
| Weighted residual factors for all reflections included in the refinement | 0.2831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238830 (current) | 2019-11-24 | cif/ Adding structures of 7238006, 7238007, 7238008 via cif-deposit CGI script. |
7238008.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.