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Information card for entry 4518946
Preview
| Coordinates | 4518946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H25 N O |
|---|---|
| Calculated formula | C20 H25 N O |
| Title of publication | Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation |
| Authors of publication | Zhou, Fang; Zhu, Shaolin |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 14 |
| Pages of publication | 8766 - 8773 |
| a | 10.1942 ± 0.0009 Å |
| b | 10.1942 ± 0.0009 Å |
| c | 14.1934 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1277.4 ± 0.2 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267920 (current) | 2021-08-03 | cif/ Adding structures of 4518946 via cif-deposit CGI script. |
4518946.cif |
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Users of the data should acknowledge the original authors of the
structural data.