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Information card for entry 7237777
Preview
| Coordinates | 7237777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H13 N3 O S |
|---|---|
| Calculated formula | C24 H13 N3 O 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 | 8.3327 ± 0.0007 Å |
| b | 9.9524 ± 0.001 Å |
| c | 23.283 ± 0.002 Å |
| α | 90° |
| β | 91.689 ± 0.008° |
| γ | 90° |
| Cell volume | 1930 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.0961 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
7237777.cif |
| 238600 | 2019-11-24 | cif/ Adding structures of 7237773, 7237774, 7237775, 7237776, 7237777, 7237778, 7237779 via cif-deposit CGI script. |
7237777.cif |
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Users of the data should acknowledge the original authors of the
structural data.