Information card for entry 7230882

Structure parameters

• Formula: C18 H19 N O2 S
• Calculated formula: C18 H19 N O2 S
• Title of publication: Anodic benzylic C(sp3)‒H amination: unified access to pyrrolidines and piperidines
• Authors of publication: Herold, Sebastian; Bafaluy, Daniel; Muñiz, Kilian
• Journal of publication: Green Chemistry
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 14
• Pages of publication: 3191
• a: 8.9159 ± 0.0018 Å
• b: 9.228 ± 0.0019 Å
• c: 10.159 ± 0.002 Å
• α: 105.035 ± 0.005°
• β: 98.43 ± 0.005°
• γ: 102.959 ± 0.005°
• Cell volume: 767.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No