Information card for entry 7135765

Structure parameters

• Formula: C38 H43 N O2
• Calculated formula: C38 H43 N O2
• Title of publication: HFIP-promoted strain-release rearrangement/N-functionalization of azabicyclo[1.1.0]butanes with para-quinone methides for the synthesis of azetidines
• Authors of publication: Wu, Haijian; Sun, Manman; Wang, Zhiming; Yang, Jianguo; Zhu, Gangguo
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 12.2137 ± 0.0005 Å
• b: 16.3186 ± 0.0006 Å
• c: 17.2412 ± 0.0006 Å
• α: 90°
• β: 110.72 ± 0.001°
• γ: 90°
• Cell volume: 3214.1 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No