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Information card for entry 7237773
Preview
| Coordinates | 7237773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H16 N4 S |
|---|---|
| Calculated formula | C25 H16 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 | 6.4455 ± 0.0005 Å |
| b | 11.5324 ± 0.0008 Å |
| c | 13.9706 ± 0.001 Å |
| α | 96.465 ± 0.006° |
| β | 93.121 ± 0.006° |
| γ | 90.16 ± 0.006° |
| Cell volume | 1030.29 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
7237773.cif |
| 238600 | 2019-11-24 | cif/ Adding structures of 7237773, 7237774, 7237775, 7237776, 7237777, 7237778, 7237779 via cif-deposit CGI script. |
7237773.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.