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Information card for entry 7064052
Preview
| Coordinates | 7064052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H22 F N O2 S |
|---|---|
| Calculated formula | C27 H22 F N O2 S |
| Title of publication | Intermolecular H-bond promoting diphenylsulfone derivatives for aggregation induced blueshifted thermally activated delayed fluorescence |
| Authors of publication | Han, Yuanping; Liu, Hanrong; Xia, Yan; Li, Jie; Jia, Junhui |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 8.17384 ± 0.00017 Å |
| b | 17.3356 ± 0.0004 Å |
| c | 15.9288 ± 0.0004 Å |
| α | 90° |
| β | 103.372 ± 0.002° |
| γ | 90° |
| Cell volume | 2195.89 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.1515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302827 (current) | 2025-10-07 | cif/ Adding structures of 7064051, 7064052 via cif-deposit CGI script. |
7064052.cif |
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