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Information card for entry 4127961
Preview
| Coordinates | 4127961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 O P |
|---|---|
| Calculated formula | C23 H23 O P |
| SMILES | [P@@](=O)(C/C=C/c1ccc(c2ccccc2)cc1)(CC)c1ccccc1 |
| Title of publication | Ni-Catalyzed Asymmetric Allylation of Secondary Phosphine Oxides. |
| Authors of publication | Liu, Xu-Teng; Zhang, Ya-Qian; Han, Xue-Yu; Sun, Shi-Ping; Zhang, Qing-Wei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 42 |
| Pages of publication | 16584 - 16589 |
| a | 5.5889 ± 0.0005 Å |
| b | 7.8356 ± 0.0007 Å |
| c | 22.0624 ± 0.0017 Å |
| α | 90° |
| β | 91.268 ± 0.004° |
| γ | 90° |
| Cell volume | 965.93 ± 0.14 Å3 |
| Cell temperature | 287 ± 2 K |
| Ambient diffraction temperature | 287 ± 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 | 0.0844 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.198 |
| Weighted residual factors for all reflections included in the refinement | 0.2292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221114 (current) | 2019-11-03 | cif/ Adding structures of 4127961 via cif-deposit CGI script. |
4127961.cif |
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Users of the data should acknowledge the original authors of the
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