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Information card for entry 1574918
Preview
| Coordinates | 1574918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H13 F8 N O |
|---|---|
| Calculated formula | C29 H13 F8 N O |
| Title of publication | Perfluoroarene-Arene Interaction Cocrystal of Perfluorocarbazoles toward IEF-Enhanced Photocatalysis |
| Authors of publication | Hu, Wenbo; Yuan, Bingxin; Li, Heng |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 18.4815 ± 0.0007 Å |
| b | 11.2751 ± 0.0004 Å |
| c | 21.751 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4532.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0639 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1276 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300158 (current) | 2025-06-23 | cif/ Adding structures of 1574914, 1574915, 1574916, 1574917, 1574918 via cif-deposit CGI script. |
1574918.cif |
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Users of the data should acknowledge the original authors of the
structural data.