Information card for entry 7135184

Structure parameters

• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• Title of publication: Oxidative cyclization of active methylene amides: efficient synthesis of functionalized 3-azabicyclo[<i>n</i>.1.0]alkanes.
• Authors of publication: Nemichand, ?; Waghmode, Amol G.; Awchar, Vilas M.; Baskaran, Sundarababu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• a: 6.6452 ± 0.0004 Å
• b: 9.1816 ± 0.0007 Å
• c: 12.2867 ± 0.0008 Å
• α: 81.324 ± 0.004°
• β: 80.372 ± 0.003°
• γ: 85.557 ± 0.004°
• Cell volume: 729.59 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No