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Information card for entry 7235060
Preview
| Coordinates | 7235060.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | DPAC-DBTDO |
|---|---|
| Formula | C62 H42 N2 O2 S |
| Calculated formula | C62 H42 N2 O2 S |
| SMILES | c12ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1N2c1cc2c(cc1)S(=O)(=O)c1c2cc(cc1)N1c2ccccc2C(c2ccccc2)(c2ccccc12)c1ccccc1 |
| Title of publication | Highly efficient organic light emitting diodes based on a D-A-D type dibenzothiophene derivative exhibiting thermally activated delayed fluorescence with small deltaEST |
| Authors of publication | Xin He; Tong Shan; Xiangyang Tang; Yu Gao; Jinyu Li; Bing Yang; Ping Lu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 10205 - 10208 |
| a | 9.907 ± 0.002 Å |
| b | 14.375 ± 0.003 Å |
| c | 16.621 ± 0.003 Å |
| α | 97.46 ± 0.03° |
| β | 91.84 ± 0.03° |
| γ | 105.68 ± 0.03° |
| Cell volume | 2254.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0714 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1427 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235060.cif |
| 227770 | 2019-11-14 | cif/ Adding structures of 7235060 via cif-deposit CGI script. |
7235060.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.