Information card for entry 7123490

Structure parameters

• Formula: C72 H84 N4 O8 S4
• Calculated formula: C72 H84 N4 O8 S4
• 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: 17.8848 ± 0.0004 Å
• b: 7.37022 ± 0.00015 Å
• c: 25.6676 ± 0.0006 Å
• α: 90°
• β: 107.315 ± 0.003°
• γ: 90°
• Cell volume: 3230.05 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1003
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No