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Information card for entry 1576070
Preview
| Coordinates | 1576070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H11 F O2 S |
|---|---|
| Calculated formula | C16 H11 F O2 S |
| Title of publication | Photoredox catalysed reductive cleavage of dibenzothiophene dioxides enabled by a temperature-controlled photoreactor |
| Authors of publication | Wang, Siyuan; Le, Quang Truong; Shishido, Yoshiteru; Kokculer, Ismail Y.; Yamazaki, Ken; Perry, Gregory J. P.; Nightingale, Adrian Matthew; Yorimitsu, Hideki |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 20.5177 ± 0.001 Å |
| b | 15.8556 ± 0.0008 Å |
| c | 8.0579 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2621.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1224 |
| Residual factor for significantly intense reflections | 0.1184 |
| Weighted residual factors for significantly intense reflections | 0.3662 |
| Weighted residual factors for all reflections included in the refinement | 0.3682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302991 (current) | 2025-10-24 | cif/ Adding structures of 1576070, 1576071 via cif-deposit CGI script. |
1576070.cif |
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Users of the data should acknowledge the original authors of the
structural data.