Information card for entry 4026141

Structure parameters

• Formula: C18 H24 N O2 S
• Calculated formula: C18 H25 N O2 S
• SMILES: C(=C(OCC)\[C@H](C(C)(C)C)NS(=O)c1ccc(C)cc1)\C=C
• Title of publication: Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group
• Authors of publication: Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1814 - 1820
• a: 8.0114 ± 0.0012 Å
• b: 12.5034 ± 0.0014 Å
• c: 18.835 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1886.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.3301
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No