Information card for entry 1501864

Structure parameters

• Formula: C23 H20 O2 S
• Calculated formula: C23 H20 O2 S
• SMILES: S(=O)(c1ccc(C)cc1)c1c(cccc1)[C@@](O)(C)C#Cc1ccccc1
• Title of publication: Asymmetric synthesis of tertiary benzylic alcohols.
• Authors of publication: Antczak, Monika I.; Cai, Feng; Ready, Joseph M.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 184 - 187
• a: 11.15 ± 0.007 Å
• b: 11.305 ± 0.008 Å
• c: 31.2 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3933 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1914
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No