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Information card for entry 4517382
Preview
| Coordinates | 4517382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 F3 O Si |
|---|---|
| Calculated formula | C20 H23 F3 O Si |
| SMILES | [Si](C(=C\CC(O)(c1ccccc1)C(F)(F)F)\C)(c1ccccc1)(C)C |
| Title of publication | Silyl-Group-Directed Linear-Selective Allylation of Carbonyl Compounds with Trisubstituted Allylboronates Using a Copper(I) Catalyst |
| Authors of publication | Iwamoto, Hiroaki; Hayashi, Yuta; Ozawa, Yu; Ito, Hajime |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 2471 |
| a | 13.3534 ± 0.0002 Å |
| b | 19.2873 ± 0.0003 Å |
| c | 14.681 ± 0.0002 Å |
| α | 90° |
| β | 94.714 ± 0.002° |
| γ | 90° |
| Cell volume | 3768.32 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0552 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1733 |
| Weighted residual factors for all reflections included in the refinement | 0.1793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| 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 |
|---|---|---|---|
| 247843 (current) | 2020-02-05 | cif/ Adding structures of 4517382 via cif-deposit CGI script. |
4517382.cif |
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Users of the data should acknowledge the original authors of the
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