Information card for entry 4122433

Structure parameters

• Formula: C19 H35 N O3 S Si
• Calculated formula: C19 H35 N O3 S Si
• SMILES: S(=O)(=O)(N(C)C)[C@H](CCCCO[Si](C)(C)C(C)(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: 5.9209 ± 0.0006 Å
• b: 10.6607 ± 0.0012 Å
• c: 17.0647 ± 0.0019 Å
• α: 90°
• β: 99.223 ± 0.001°
• γ: 90°
• Cell volume: 1063.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No