Information card for entry 1501866

Structure parameters

• Formula: C24 H22 O2 S
• Calculated formula: C24 H22 O2 S
• SMILES: S(=O)(c1ccc(C)cc1)c1c(cccc1)[C@@](O)(CC)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: 8.351 ± 0.005 Å
• b: 10.444 ± 0.005 Å
• c: 13.019 ± 0.009 Å
• α: 105.335 ± 0.003°
• β: 97.845 ± 0.005°
• γ: 105.307 ± 0.005°
• Cell volume: 1029.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No