Information card for entry 1501865

Structure parameters

• Formula: C51 H44 O5 S2
• Calculated formula: C51 H44 O5 S2
• SMILES: S(=O)(c1ccc(C)cc1)c1ccccc1[C@](O)(C)C#Cc1ccccc1C.OC(C)C
• 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: 20.063 ± 0.011 Å
• b: 10.21 ± 0.006 Å
• c: 21.815 ± 0.016 Å
• α: 90°
• β: 89.42 ± 0.02°
• γ: 90°
• Cell volume: 4468 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.244
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No