Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550944
Preview
| Coordinates | 1550944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4CzDPDPO2A |
|---|---|
| Formula | C72 H46 N4 O2 P2 |
| Calculated formula | C72 H46 N4 O2 P2 |
| SMILES | P1(=O)(c2cc(n3c4c(c5c3cccc5)cccc4)c(n3c4c(c5c3cccc5)cccc4)cc2P(=O)(c2cc(n3c4c(c5c3cccc5)cccc4)c(n3c4c(c5c3cccc5)cccc4)cc12)c1ccccc1)c1ccccc1 |
| Title of publication | High-Efficiency Blue Thermally Activated Delayed Fluorescence from Donor-Acceptor-Donor Systems via Through-Space Conjugation Effect |
| Authors of publication | Xu, Hui; Gao, Feifei; Du, Ruiming; Han, Chunmiao; Zhang, Jing; Wei, Ying; Lu, Guang |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 13.991 ± 0.005 Å |
| b | 17.18 ± 0.005 Å |
| c | 17.219 ± 0.005 Å |
| α | 117.591 ± 0.005° |
| β | 103.404 ± 0.005° |
| γ | 92.633 ± 0.005° |
| Cell volume | 3511.4 ± 1.9 Å3 |
| Ambient diffraction temperature | 295 ± 2 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 all reflections | 0.142 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214775 (current) | 2019-04-26 | cif/ Adding structures of 1550944 via cif-deposit CGI script. |
1550944.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.