Information card for entry 7135186

Structure parameters

• Formula: C23 H23 Cl2 N O4
• Calculated formula: C23 H23 Cl2 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: 14.2188 ± 0.0008 Å
• b: 10.3324 ± 0.0005 Å
• c: 29.7421 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4369.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No