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Information card for entry 4130730
Preview
| Coordinates | 4130730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H25 N O5 |
|---|---|
| Calculated formula | C27 H25 N O5 |
| SMILES | O(C(=O)c1ccc(N(=O)=O)cc1)[C@@H]([C@@H](c1ccccc1)C=C)[C@](O)(c1ccccc1)CC=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 | 5.7846 ± 0.0018 Å |
| b | 10.081 ± 0.002 Å |
| c | 20.654 ± 0.018 Å |
| α | 90° |
| β | 95.51 ± 0.03° |
| γ | 90° |
| Cell volume | 1198.9 ± 1.1 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.2178 |
| Weighted residual factors for all reflections included in the refinement | 0.2209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241110 (current) | 2019-11-25 | cif/ Adding structures of 4130730 via cif-deposit CGI script. |
4130730.cif |
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Users of the data should acknowledge the original authors of the
structural data.