Information card for entry 7123487

Structure parameters

• Formula: C21 H27 N O2 S
• Calculated formula: C21 H27 N O2 S
• Title of publication: TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives
• Authors of publication: Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.0063 ± 0.0003 Å
• b: 12.0533 ± 0.0008 Å
• c: 19.6151 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1892.9 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0596
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No