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Information card for entry 1573713
Preview
| Coordinates | 1573713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 F3 O2 Si |
|---|---|
| Calculated formula | C27 H19 F3 O2 Si |
| Title of publication | Organic photoredox-catalyzed unimolecular PCET of benzylic alcohols |
| Authors of publication | Matsuo, Tomotoki; Sano, Masaki; Sumida, Yuto; Ohmiya, Hirohisa |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 8.589 ± 0.003 Å |
| b | 9.902 ± 0.004 Å |
| c | 14.679 ± 0.006 Å |
| α | 106.882 ± 0.005° |
| β | 94.204 ± 0.003° |
| γ | 111.756 ± 0.003° |
| Cell volume | 1086.3 ± 0.7 Å3 |
| Cell temperature | 86 ± 2 K |
| Ambient diffraction temperature | 86 ± 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297369 (current) | 2025-01-18 | cif/ Adding structures of 1573713 via cif-deposit CGI script. |
1573713.cif |
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Users of the data should acknowledge the original authors of the
structural data.