Information card for entry 4025685

Structure parameters

• Formula: C18 H28 N O S
• Calculated formula: C19 H29 N O S
• SMILES: [C@@H]([C@H]1C=CCCC1)(CCc1ccccc1)NS(=O)C(C)(C)C
• Title of publication: Stereoselective α-Aminoallylation of Aldehydes with Chiraltert-Butanesulfinamides and Allyl Bromides
• Authors of publication: José C. González-Gómez; Mohamed Medjahdi; Francisco Foubelo; Miguel Yus
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6308 - 6311
• a: 5.3449 ± 0.0008 Å
• b: 17.133 ± 0.003 Å
• c: 10.4547 ± 0.0015 Å
• α: 90°
• β: 103.447 ± 0.003°
• γ: 90°
• Cell volume: 931.1 ± 0.3 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No