Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233477
Preview
| Coordinates | 7233477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H25 Cl3 N4 O3 |
|---|---|
| Calculated formula | C39 H25 Cl3 N4 O3 |
| SMILES | ClC(Cl)Cl.O1c2c(N(c3ccc(cc3)c3oc(nn3)c3ccc(N4c5c(Oc6c4cccc6)cccc5)cc3)c3ccccc13)cccc2 |
| Title of publication | Oxadiazole- and triazole-based highly-efficient thermally activated delayed fluorescence emitters for organic light-emitting diodes |
| Authors of publication | Jiyoung Lee; Katsuyuki Shizu; Hiroyuki Tanaka; Hiroko Nomura; Takuma Yasuda; Chihaya Adachi |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 4599 - 4604 |
| a | 7.599 ± 0.005 Å |
| b | 7.984 ± 0.005 Å |
| c | 27.611 ± 0.015 Å |
| α | 91.65 ± 0.04° |
| β | 95.04 ± 0.04° |
| γ | 108.88 ± 0.05° |
| Cell volume | 1576 ± 1.7 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.3902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217737 (current) | 2019-08-27 | cif/ Adding structures of 7233477 via cif-deposit CGI script. |
7233477.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.