Information card for entry 7063331

Structure parameters

• Formula: C27 H22 Br N O2
• Calculated formula: C27 H22 Br N O2
• Title of publication: Cu(ii)-catalyzed annulation of α,β-unsaturated ketoxime acetates with 3-formylchromones for the synthesis of functionalized 2,4-diarylpyridines
• Authors of publication: Yang, Jing; Hu, Xing-Mei; Zhao, Ke-Hua; Huang, Kun; Yan, Sheng-Jiao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 26
• Pages of publication: 11682 - 11687
• a: 9.2238 ± 0.0005 Å
• b: 10.8056 ± 0.0005 Å
• c: 12.0232 ± 0.0007 Å
• α: 110.335 ± 0.002°
• β: 99.439 ± 0.002°
• γ: 92.472 ± 0.002°
• Cell volume: 1101.93 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0786
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No