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Information card for entry 7249705
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| Coordinates | 7249705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C222 H198 N12 O36 S12 |
|---|---|
| Calculated formula | C222 H198 N12 O36 S12 |
| Title of publication | Tetraphenylethylene-based blue light-emitting organic salt crystals |
| Authors of publication | Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 625 - 633 |
| a | 12.6165 ± 0.0005 Å |
| b | 19.6272 ± 0.0008 Å |
| c | 21.927 ± 0.001 Å |
| α | 82.317 ± 0.003° |
| β | 78.76 ± 0.002° |
| γ | 86.655 ± 0.002° |
| Cell volume | 5274.8 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2149 |
| Residual factor for significantly intense reflections | 0.1727 |
| Weighted residual factors for significantly intense reflections | 0.4183 |
| Weighted residual factors for all reflections included in the refinement | 0.4484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298184 (current) | 2025-03-04 | cif/ Updating files of 7249703, 7249704, 7249705, 7249706 Original log message: Adding full bibliography for 7249703--7249706.cif. |
7249705.cif |
| 296898 | 2024-12-18 | cif/ Adding structures of 7249703, 7249704, 7249705, 7249706 via cif-deposit CGI script. |
7249705.cif |
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Users of the data should acknowledge the original authors of the
structural data.