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Information card for entry 4517242
Preview
| Coordinates | 4517242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H40 N2 O2 |
|---|---|
| Calculated formula | C45 H40 N2 O2 |
| SMILES | CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2c1ccc(cc1)C(=O)c1ccc(cc1)N1c2c(Oc3c1cccc3)cccc2 |
| Title of publication | Molecular engineering of thermally activated delayed fluorescence emitters with aggregation-induced emission via introducing intramolecular hydrogen-bonding interactions for efficient solution-processed non-doped OLEDs. |
| Authors of publication | Ma, Fulong; Zhao, Guimin; Zheng, Yu; He, Fangru; Hasrat, Kamran; Qi, Zhengjian |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2019 |
| a | 14.7099 ± 0.0008 Å |
| b | 21.1833 ± 0.0012 Å |
| c | 22.3481 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6963.8 ± 0.6 Å3 |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.102 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4517242.cif |
| 245450 | 2019-12-21 | cif/ Adding structures of 4517242 via cif-deposit CGI script. |
4517242.cif |
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