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Information card for entry 7131083
Preview
| Coordinates | 7131083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 O2 S |
|---|---|
| Calculated formula | C15 H20 O2 S |
| SMILES | S(=O)(=O)(c1ccccc1)C(/C=C\1CCCCC1)C |
| Title of publication | Divergent upgrading pathways of sulfones with primary alcohols: nickel-catalyzed α-alkylation under N<sub>2</sub> and metal-free promoted β-olefination in open air. |
| Authors of publication | Yu, Haiping; Fu, Kaiyue; Yang, Guang; Liu, Mengyu; Yang, Peng; Liu, Tao |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2023 |
| Journal volume | 59 |
| Journal issue | 5 |
| Pages of publication | 615 - 618 |
| a | 8.502 ± 0.0004 Å |
| b | 13.0247 ± 0.001 Å |
| c | 13.5023 ± 0.0007 Å |
| α | 92.066 ± 0.005° |
| β | 95.165 ± 0.004° |
| γ | 99.518 ± 0.005° |
| Cell volume | 1466.64 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0961 |
| Residual factor for significantly intense reflections | 0.083 |
| Weighted residual factors for significantly intense reflections | 0.2398 |
| Weighted residual factors for all reflections included in the refinement | 0.2572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| 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 |
|---|---|---|---|
| 281328 (current) | 2023-03-04 | cif/ Updating files of 7131082, 7131083, 7131084 Original log message: Adding full bibliography for 7131082--7131084.cif. |
7131083.cif |
| 279826 | 2022-12-10 | cif/ Adding structures of 7131082, 7131083, 7131084 via cif-deposit CGI script. |
7131083.cif |
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Users of the data should acknowledge the original authors of the
structural data.