Information card for entry 7235894

Structure parameters

• Formula: C32 H26 Br F N2 O2
• Calculated formula: C32 H26 Br F N2 O2
• Title of publication: Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones
• Authors of publication: Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 36
• Pages of publication: 28717
• a: 12.1385 ± 0.0004 Å
• b: 10.7741 ± 0.0003 Å
• c: 20.8967 ± 0.0006 Å
• α: 90°
• β: 94.598 ± 0.002°
• γ: 90°
• Cell volume: 2724.1 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No