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Information card for entry 7237778
Preview
| Coordinates | 7237778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H30 N4 S |
|---|---|
| Calculated formula | C46 H30 N4 S |
| Title of publication | Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs |
| Authors of publication | Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 22 |
| Pages of publication | 6706 |
| a | 11.7169 ± 0.0014 Å |
| b | 37.416 ± 0.004 Å |
| c | 8.5164 ± 0.0011 Å |
| α | 90° |
| β | 108.75 ± 0.014° |
| γ | 90° |
| Cell volume | 3535.4 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| 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 | 0.1105 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
7237778.cif |
| 238600 | 2019-11-24 | cif/ Adding structures of 7237773, 7237774, 7237775, 7237776, 7237777, 7237778, 7237779 via cif-deposit CGI script. |
7237778.cif |
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Users of the data should acknowledge the original authors of the
structural data.