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Information card for entry 1553637
Preview
| Coordinates | 1553637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H21 N3 O5 |
|---|---|
| Calculated formula | C16 H21 N3 O5 |
| SMILES | o1cccc1[C@H](N(O)C(=O)OC(C)(C)C)CC(=O)c1nccn1C |
| Title of publication | Enantioselective conjugate addition of hydroxylamines to α,β-unsaturated 2-acyl imidazoles catalyzed by a chiral-at-metal Rh(iii) complex |
| Authors of publication | Deng, Tao; Thota, Ganesh Kumar; Li, Yi; Kang, Qiang |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 4 |
| Pages of publication | 573 |
| a | 8.4855 ± 0.0004 Å |
| b | 15.887 ± 0.0007 Å |
| c | 25.5299 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3441.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235235 (current) | 2019-11-23 | cif/ Adding structures of 1553637 via cif-deposit CGI script. |
1553637.cif |
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Users of the data should acknowledge the original authors of the
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