Information card for entry 4022724

Structure parameters

• Formula: C24 H33 N O3 S2
• Calculated formula: C24 H33 N O3 S2
• SMILES: S(=O)(N[C@H]([C@H](C(=O)OC(C)(C)C)CSc1ccccc1)C(C)C)c1ccc(cc1)C
• 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: 10.09 ± 0.006 Å
• b: 8.726 ± 0.005 Å
• c: 14.035 ± 0.009 Å
• α: 90°
• β: 92.408 ± 0.014°
• γ: 90°
• Cell volume: 1234.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0815
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No