Information card for entry 7120269

Structure parameters

• Formula: C17 H17 N O3 S
• Calculated formula: C17 H17 N O3 S
• Title of publication: Asymmetric tandem conjugate addition−protonation to forge chiral secondary C−O bond for quaternary carbon stereocenters at the nonadjacent β-position
• Authors of publication: Hong, San-Ni; Liu, Yang; Lee, Richmond; Jiang, Zhiyong
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.1001 ± 0.0005 Å
• b: 6.5764 ± 0.0003 Å
• c: 29.8228 ± 0.0017 Å
• α: 90°
• β: 96.427 ± 0.005°
• γ: 90°
• Cell volume: 1578.66 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No