Information card for entry 7158623

Structure parameters

• Formula: C31 H29 Br N2 O3
• Calculated formula: C31 H29 Br N2 O3
• Title of publication: Phase-transfer catalyzed Michael/ammonolysis cascade reactions of enaminones and olefinic azlactones: a new approach to structurally diverse quinoline-2,5-diones
• Authors of publication: Chen, Lin; Liang, Wei
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 10.5937 ± 0.0006 Å
• b: 15.3406 ± 0.0011 Å
• c: 16.5661 ± 0.0007 Å
• α: 87.802 ± 0.005°
• β: 88.24 ± 0.004°
• γ: 81.951 ± 0.005°
• Cell volume: 2662.9 ± 0.3 ų
• Cell temperature: 250.01 ± 0.1 K
• Ambient diffraction temperature: 250.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No