Information card for entry 1567636

Structure parameters

• Formula: C17 H19 N O S
• Calculated formula: C17 H19 N O S
• Title of publication: Access to Dialkylated Allylic Stereogenic Centers by Ni-Catalysed Enantioselective Hydrovinylation of Unactivated Alkenes
• Authors of publication: Zhang, Jian-Xin; Yang, Peng-Fei; Shu, Wei
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 8.8663 ± 0.0014 Å
• b: 8.793 ± 0.0014 Å
• c: 10.1594 ± 0.0016 Å
• α: 90°
• β: 108.871 ± 0.005°
• γ: 90°
• Cell volume: 749.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0262
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No