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Information card for entry 7246004
Preview
| Coordinates | 7246004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 F O5 S |
|---|---|
| Calculated formula | C21 H19 F O5 S |
| Title of publication | Metal-free hydrosulfonylation of α,β-unsaturated ketones: synthesis and application of γ-keto sulfones |
| Authors of publication | Cheng, Xiufang; Wang, Shuo; Wei, Yibo; Wang, Huamin; Lin, Ying-Wu |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 55 |
| Pages of publication | 35649 - 35654 |
| a | 17.9808 ± 0.0007 Å |
| b | 10.9396 ± 0.0003 Å |
| c | 10.3118 ± 0.0004 Å |
| α | 90° |
| β | 106.198 ± 0.001° |
| γ | 90° |
| Cell volume | 1947.84 ± 0.12 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279885 (current) | 2022-12-14 | cif/ Adding structures of 7246004 via cif-deposit CGI script. |
7246004.cif |
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Users of the data should acknowledge the original authors of the
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