Information card for entry 7132198

Structure parameters

• Formula: C19 H22 N2 O4
• Calculated formula: C19 H22 N2 O4
• Title of publication: Enolate addition to bicyclobutanes enables expedient access to 2-oxo-bicyclohexane scaffolds
• Authors of publication: Woelk, Kyla; Dhake, Kushal; Schley, Nathan D.; Leitch, David
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 6.8191 ± 0.0004 Å
• b: 10.95 ± 0.0008 Å
• c: 12.1182 ± 0.001 Å
• α: 85.949 ± 0.006°
• β: 78.293 ± 0.006°
• γ: 80.362 ± 0.006°
• Cell volume: 872.9 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0858
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No