Information card for entry 7161013

Structure parameters

• Formula: C15 H19 N O2
• Calculated formula: C15 H19 N O2
• Title of publication: Adapting Bower's Intramolecular Aziridination Reaction Allows for a Metal-Free Synthesis of N-H Aziridines
• Authors of publication: Silver, Raju; Kelley, Steven Paul; Sathyamoorthi, Shyam
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 21.1835 ± 0.0003 Å
• b: 4.85638 ± 0.00004 Å
• c: 13.24574 ± 0.00016 Å
• α: 90°
• β: 103.071 ± 0.0012°
• γ: 90°
• Cell volume: 1327.35 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No