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Information card for entry 4130731
Preview
| Coordinates | 4130731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H18 N0 O2 |
|---|---|
| Calculated formula | C17 H18 O2 |
| SMILES | c1(ccccc1)[C@@H](O)[C@@H](O)[C@@H](c1ccccc1)C=C |
| Title of publication | An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones. |
| Authors of publication | Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 35 |
| Pages of publication | 11093 - 11096 |
| a | 14.8428 ± 0.0004 Å |
| b | 18.9967 ± 0.0006 Å |
| c | 10.3327 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2913.45 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241111 (current) | 2019-11-25 | cif/ Adding structures of 4130731 via cif-deposit CGI script. |
4130731.cif |
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Users of the data should acknowledge the original authors of the
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