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Information card for entry 1566105
Preview
| Coordinates | 1566105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H27 B O3 |
|---|---|
| Calculated formula | C22 H27 B O3 |
| SMILES | O1c2c(cc(c3ccccc3)cc2)[C@](C1)(CB1OC(C(O1)(C)C)(C)C)C |
| Title of publication | Enantioselective Difunctionalization of Alkenes by a Palladium-Catalyzed Heck/Borylation Sequence |
| Authors of publication | Wu, Yuanqi; Wu, Lizuo; Zhang, Zhanming; Xu, Bing; Liu, Yu; Zhang, Junliang |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 8.6344 ± 0.0001 Å |
| b | 13.5463 ± 0.0002 Å |
| c | 16.9157 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1978.53 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272206 (current) | 2022-01-23 | cif/ Adding structures of 1566105 via cif-deposit CGI script. |
1566105.cif |
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Users of the data should acknowledge the original authors of the
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