Information card for entry 7123117

Structure parameters

• Formula: C22 H18 Br N O3
• Calculated formula: C22 H18 Br N O3
• Title of publication: Formal [3+2] cycloaddition of vinylcyclopropane azlactones to enals using synergistic catalysis
• Authors of publication: Kamlar, Martin; Franc, Michael; Cisarova, Ivana; Gyepes, Robert; Vesely, Jan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.3124 ± 0.0006 Å
• b: 6.3961 ± 0.0003 Å
• c: 12.5551 ± 0.0006 Å
• α: 90°
• β: 90.017 ± 0.003°
• γ: 90°
• Cell volume: 988.73 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No