Information card for entry 7135763

Structure parameters

• Formula: C37 H40 Br N O2
• Calculated formula: C37 H40 Br 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: 16.892 Å
• b: 10.153 Å
• c: 19.34 Å
• α: 90°
• β: 98.77°
• γ: 90°
• Cell volume: 3278.12 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.2907
• Residual factor for significantly intense reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.2723
• Weighted residual factors for all reflections included in the refinement: 0.3323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No