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Information card for entry 7160419
Preview
| Coordinates | 7160419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 O2 S |
|---|---|
| Calculated formula | C16 H16 O2 S |
| Title of publication | Construction of Multi-Functionalized Carbon Chain Launched by Ni-Catalyzed Carbosulfonylation of Butadiene |
| Authors of publication | Liu, Yan; Zhang, Xiang-Xin; Li, Xue-Ting; Xu, SuYang; Ji, Ding-Wei; Chen, Qing-An |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.78749 ± 0.00019 Å |
| b | 15.2412 ± 0.0002 Å |
| c | 10.1184 ± 0.0002 Å |
| α | 90° |
| β | 108.564 ± 0.002° |
| γ | 90° |
| Cell volume | 1430.86 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1562 |
| Weighted residual factors for all reflections included in the refinement | 0.1644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| 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 |
|---|---|---|---|
| 298459 (current) | 2025-03-15 | cif/ Adding structures of 7160419, 7160420, 7160421 via cif-deposit CGI script. |
7160419.cif |
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Users of the data should acknowledge the original authors of the
structural data.