Information card for entry 1504666

Structure parameters

• Formula: C22 H20 O2 S
• Calculated formula: C22 H20 O2 S
• SMILES: S(=O)(c1c([C@H]2[C@](O2)(C)c2ccccc2)cccc1)c1ccc(cc1)C
• Title of publication: Stereoselective alkylidenation of ketones with 2-(p-toluenesulfinyl)benzyl iodide: synthesis of enantiomerically pure trisubstituted epoxides.
• Authors of publication: Arroyo, Yolanda; Meana, Angela; Sanz-Tejedor, M Ascensión; Ruano, José Luis García
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 2151 - 2154
• a: 7.974 ± 0.003 Å
• b: 13.082 ± 0.005 Å
• c: 17.527 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1828.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No