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Information card for entry 1574399
Preview
| Coordinates | 1574399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H19 B F4 S2 |
|---|---|
| Calculated formula | C28 H19 B F4 S2 |
| Title of publication | Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization |
| Authors of publication | Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constantin; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 15.1406 ± 0.0008 Å |
| b | 10.3948 ± 0.0005 Å |
| c | 32.4934 ± 0.0017 Å |
| α | 90° |
| β | 100.849 ± 0.002° |
| γ | 90° |
| Cell volume | 5022.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299278 (current) | 2025-04-12 | cif/ Adding structures of 1574397, 1574398, 1574399, 1574400 via cif-deposit CGI script. |
1574399.cif |
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Users of the data should acknowledge the original authors of the
structural data.