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Information card for entry 4131899
Preview
| Coordinates | 4131899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H24 N2 O2 |
|---|---|
| Calculated formula | C17 H24 N2 O2 |
| SMILES | O=C1N(C(=O)[C@H](N1C(C)(C)C)c1ccccc1)C(C)(C)C |
| Title of publication | Lewis Base/Copper Cooperatively Catalyzed Asymmetric α-Amination of Esters with Diaziridinone. |
| Authors of publication | Song, Jin; Zhang, Zi-Jing; Chen, Shu-Sen; Fan, Tao; Gong, Liu-Zhu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 9 |
| Pages of publication | 3177 - 3180 |
| a | 12.1758 ± 0.0003 Å |
| b | 10.373 ± 0.0003 Å |
| c | 14.1803 ± 0.0004 Å |
| α | 90° |
| β | 112.952 ± 0.001° |
| γ | 90° |
| Cell volume | 1649.18 ± 0.08 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198.26 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 | 0.0779 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.1795 |
| Weighted residual factors for all reflections included in the refinement | 0.1908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241990 (current) | 2019-11-25 | cif/ Adding structures of 4131899 via cif-deposit CGI script. |
4131899.cif |
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Users of the data should acknowledge the original authors of the
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