Information card for entry 4122434

Structure parameters

• Formula: C17 H25 N O3 S
• Calculated formula: C17 H25 N O3 S
• SMILES: S(=O)(=O)(N1CCOCC1)[C@@H](CCCC)/C=C/c1ccccc1
• Title of publication: Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.
• Authors of publication: Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 12161
• a: 12.835 ± 0.0006 Å
• b: 5.6272 ± 0.0003 Å
• c: 12.9187 ± 0.0006 Å
• α: 90°
• β: 113.133 ± 0.002°
• γ: 90°
• Cell volume: 858.03 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0273
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No