Information card for entry 7109222

Structure parameters

• Formula: C20 H19 N O2 S
• Calculated formula: C20 H19 N O2 S
• Title of publication: Stereoselective synthesis of aminoindanols via an efficient cascade aza-Michael-aldol reaction
• Authors of publication: Hui Qian; Wanxiang Zhao; Herman H-Y. Sung; Ian D. Williams; Jianwei Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4361
• a: 5.2087 ± 0.0002 Å
• b: 10.6761 ± 0.0004 Å
• c: 31.3923 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1745.68 ± 0.11 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 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 all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No