Information card for entry 1558133

Structure parameters

• 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 ų
• 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