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Information card for entry 1554240
Preview
| Coordinates | 1554240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | POZ-BT-CN |
|---|---|
| Chemical name | POZ-BT-CN |
| Formula | C25 H14 N4 O S |
| Calculated formula | C25 H14 N4 O S |
| SMILES | c12c(ccc(c1nsn2)c1ccc2c(c1)Oc1c(N2c2ccccc2)cccc1)C#N |
| Title of publication | The roles of thermally activated delayed fluorescence sensitizers for efficient red fluorescent organic light-emitting diodes with D–A–A type emitters |
| Authors of publication | Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Wu, Sheng-Fan; Yuan, Yi; Aziz Khan, Aziz Khan; Jiang, Zuo-Quan; Fung, Man-Keung; Liao, Liang-Sheng |
| Journal of publication | Materials Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | 161 |
| a | 17.804 ± 0.002 Å |
| b | 9.217 ± 0.0011 Å |
| c | 12.5258 ± 0.0017 Å |
| α | 90° |
| β | 107.795 ± 0.004° |
| γ | 90° |
| Cell volume | 1957.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554240.cif |
| 237053 | 2019-11-24 | cif/ Adding structures of 1554240, 1554241 via cif-deposit CGI script. |
1554240.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.