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Information card for entry 7131082
Preview
| Coordinates | 7131082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H26 O3 S |
|---|---|
| Calculated formula | C19 H26 O3 S |
| SMILES | c1(ccc(cc1)S(=O)(=O)CC=C1CCCC1)OCC1CCCC1 |
| 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 | 6.1676 ± 0.0005 Å |
| b | 11.8368 ± 0.0009 Å |
| c | 13.6151 ± 0.001 Å |
| α | 112.511 ± 0.007° |
| β | 96.462 ± 0.006° |
| γ | 97.113 ± 0.006° |
| Cell volume | 897.19 ± 0.13 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 | 0.0742 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1682 |
| Weighted residual factors for all reflections included in the refinement | 0.1884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
7131082.cif |
| 279826 | 2022-12-10 | cif/ Adding structures of 7131082, 7131083, 7131084 via cif-deposit CGI script. |
7131082.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.