Information card for entry 7123558

Structure parameters

• Formula: C19 H26 N2 O4 S
• Calculated formula: C19 H26 N2 O4 S
• Title of publication: Silver Oxide Mediated Novel SET Oxidative Cyclization: Stereoselective Synthesis of 3-Azabicyclo[n.1.0]alkanes
• Authors of publication: Baskaran, Sundarababu; D V, Kirana; Das, Kanak Kanti
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.0612 ± 0.0003 Å
• b: 16.9769 ± 0.0005 Å
• c: 11.5356 ± 0.0003 Å
• α: 90°
• β: 114.213 ± 0.001°
• γ: 90°
• Cell volume: 1975.64 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No