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Information card for entry 4124838
Preview
| Coordinates | 4124838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H26 N2 O6 |
|---|---|
| Calculated formula | C21 H26 N2 O6 |
| SMILES | O=C(OC(C)(C)C)NC1=C[C@@]2(ON(C(=O)c3ccccc3)[C@@H](C32OCCO3)C1)C |
| Title of publication | Boronic Acid-Catalyzed, Highly Enantioselective Aza-Michael Additions of Hydroxamic Acid to Quinone Imine Ketals. |
| Authors of publication | Hashimoto, Takuya; Gálvez, Alberto Osuna; Maruoka, Keiji |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 51 |
| Pages of publication | 16016 - 16019 |
| a | 6.3279 ± 0.00013 Å |
| b | 10.2173 ± 0.0002 Å |
| c | 31.5941 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2042.69 ± 0.07 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0543 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 173471 (current) | 2016-01-05 | cif/ Adding structures of 4124838 via cif-deposit CGI script. |
4124838.cif |
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Users of the data should acknowledge the original authors of the
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