Information card for entry 7109369

Structure parameters

• Formula: C19 H29 N O3 S
• Calculated formula: C19 H29 N O3 S
• SMILES: S(N[C@](C(C)C)([C@@H](OC(=O)c1ccccc1)C=C)C)(=O)C(C)(C)C
• Title of publication: Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines
• Authors of publication: Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5402
• a: 9.2088 ± 0.0019 Å
• b: 10.632 ± 0.002 Å
• c: 10.884 ± 0.002 Å
• α: 90°
• β: 108.969 ± 0.002°
• γ: 90°
• Cell volume: 1007.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No