Information card for entry 7134143

Structure parameters

• Formula: C29 H25 N O3
• Calculated formula: C29 H25 N O3
• Title of publication: Lewis acid-catalyzed [2π+2σ] cycloaddition of dihydropyridines with bicyclobutanes.
• Authors of publication: Liang, Yujie; Nematswerani, Ronewa; Daniliuc, Constantin G.; Glorius, Frank
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 10
• Pages of publication: 2091 - 2094
• a: 10.2511 ± 0.0003 Å
• b: 10.3159 ± 0.0003 Å
• c: 12.0215 ± 0.0003 Å
• α: 106.412 ± 0.001°
• β: 105.636 ± 0.001°
• γ: 103.988 ± 0.001°
• Cell volume: 1102.62 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0501
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No