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Information card for entry 1558134
Preview
| Coordinates | 1558134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H16 O2 |
|---|---|
| Calculated formula | C13 H16 O2 |
| SMILES | [C@]12([C@H](O1)c1ccccc1)CCCC[C@@H]2O |
| 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 | 5.5579 ± 0.0002 Å |
| b | 7.7831 ± 0.0002 Å |
| c | 25.2947 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1094.19 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0322 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252450 (current) | 2020-05-29 | cif/ Adding structures of 1558134 via cif-deposit CGI script. |
1558134.cif |
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