Information card for entry 4022723

Structure parameters

• Formula: C27 H31 N O3 S2
• Calculated formula: C27 H31 N O3 S2
• Title of publication: Asymmetric Thio-Michael/Nucleophilic Addition Domino Reaction with Chiral N-Sulfinimines
• Authors of publication: Akio Kamimura; Hidenori Okawa; Yuki Morisaki; Shingo Ishikawa; Hidemitsu Uno
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3569 - 3572
• a: 12.934 ± 0.007 Å
• b: 5.96 ± 0.003 Å
• c: 16.38 ± 0.009 Å
• α: 90°
• β: 94.928 ± 0.002°
• γ: 90°
• Cell volume: 1258 ± 1.1 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No