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Information card for entry 7132160
Preview
| Coordinates | 7132160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-((1S,2S)-2-hydroxy-1-phenylpent-4-en-1-yl)-4-methylbenzenesulfonamide |
|---|---|
| Formula | C18 H21 N O3 S |
| Calculated formula | C18 H21 N O3 S |
| SMILES | S(=O)(=O)(N[C@H]([C@@H](O)CC=C)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Aminoalcohol derivatives by nickel-catalyzed enantioselective coupling of imines and dienol ethers |
| Authors of publication | Kim, Jae Yeon; Davies, Thomas Q.; Fuerstner, Alois |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 7.7766 ± 0.0004 Å |
| b | 10.4591 ± 0.0005 Å |
| c | 11.6939 ± 0.0006 Å |
| α | 63.794 ± 0.002° |
| β | 86.998 ± 0.002° |
| γ | 89.877 ± 0.002° |
| Cell volume | 851.97 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286591 (current) | 2023-09-29 | cif/ Adding structures of 7132160 via cif-deposit CGI script. |
7132160.cif |
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Users of the data should acknowledge the original authors of the
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