Information card for entry 1504667

Structure parameters

• Formula: C25 H24 O3 S
• Calculated formula: C25 H24 O3 S
• SMILES: [C@H](O)(c1c(cccc1)S(=O)c1ccc(cc1)C)C1=CCCc2c1cccc2OC
• 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: 9.2897 ± 0.0013 Å
• b: 11.0292 ± 0.0016 Å
• c: 20.409 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2091.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No