Information card for entry 7133839

Structure parameters

• Formula: C20 H23 N O4
• Calculated formula: C20 H23 N O4
• Title of publication: Diastereoselective dearomative cycloaddition of bicyclobutanes with pyridinium ylides: a modular approach to multisubstituted azabicyclo[3.1.1]heptanes
• Authors of publication: Dhake, Kushal; Woelk, Kyla; Krueckl, Liam D. N.; Alberts, Faith; Mutter, James; Pohl, Matthew O.; Thomas, Gilian T.; Sharma, Muskan; Bjornerud-Brown, Jaelyn; Pipaon Fernandez, Nahiane; Schley, Nathan D.; Leitch, David
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 5.8883 ± 0.0002 Å
• b: 10.8918 ± 0.0003 Å
• c: 14.0443 ± 0.0004 Å
• α: 75.094 ± 0.001°
• β: 88.484 ± 0.001°
• γ: 89.578 ± 0.001°
• Cell volume: 870.1 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0403
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No