Information card for entry 7135185

Structure parameters

• Formula: C22 H21 Cl2 N O3
• Calculated formula: C22 H21 Cl2 N O3
• 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: 5.9876 ± 0.0004 Å
• b: 29.771 ± 0.002 Å
• c: 11.4497 ± 0.0007 Å
• α: 90°
• β: 97.157 ± 0.003°
• γ: 90°
• Cell volume: 2025.1 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No