Information card for entry 4114859

Structure parameters

• Formula: C19 H24 N O3 S
• Calculated formula: C19 H25 N O2 S
• SMILES: S(=O)(N[C@H](C[C@H](O)c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: Asymmetric Synthesis of syn- and anti-1,3-Amino Alcohols
• Authors of publication: Takuya Kochi; Tony P. Tang; Jonathan A. Ellman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 6518 - 6519
• a: 5.8532 ± 0.0008 Å
• b: 11.64 ± 0.002 Å
• c: 26.638 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814.9 ± 0.4 ų
• Cell temperature: 133.2 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 significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No