Information card for entry 4114858

Structure parameters

• Formula: C19 H23 N O2 S
• Calculated formula: C19 H23 N O2 S
• SMILES: S(=O)(/N=C(\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: 7.2867 ± 0.0002 Å
• b: 12.3688 ± 0.0004 Å
• c: 19.2042 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1730.83 ± 0.09 ų
• Cell temperature: 122.2 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: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No