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Information card for entry 1558133
Preview
| Coordinates | 1558133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 N0 O5 S |
|---|---|
| Calculated formula | C20 H26 O5 S |
| SMILES | c1ccc(cc1)[C@H]1O[C@@H]1[C@H](C)OS(=O)(=O)C[C@@]12C(=O)C[C@@H](CC1)C2(C)C |
| Title of publication | Correction to Stereodivergent Access to Enantioenriched Epoxy Alcohols with Three Stereogenic Centers via Ruthenium-Catalyzed Transfer Hydrogenation |
| Authors of publication | Zhao, Zhifei; Bagdi, Prasanta Ray; Yang, Shuang; Liu, Jinggong; Cotman, Andrej Emanuel; Xu, Weici; Fang, Xinqiang |
| Journal of publication | Organic Letters |
| Year of publication | 2020 |
| a | 6.703 ± 0.0005 Å |
| b | 8.4049 ± 0.0006 Å |
| c | 17.5344 ± 0.0014 Å |
| α | 90° |
| β | 98.188 ± 0.003° |
| γ | 90° |
| Cell volume | 977.78 ± 0.13 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252449 (current) | 2020-05-29 | cif/ Adding structures of 1558133 via cif-deposit CGI script. |
1558133.cif |
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Users of the data should acknowledge the original authors of the
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