Information card for entry 7063256

Structure parameters

• Formula: C20 H15 Br2 N3 O2 S
• Calculated formula: C20 H15 Br2 N3 O2 S
• 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: Yan, Sheng-Jiao; Yang, Jing; Hu, Xing-Mei; Zhao, Ke-Hua; Huang, Kun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 7.897 ± 0.0005 Å
• b: 10.6539 ± 0.0006 Å
• c: 14.6586 ± 0.0008 Å
• α: 97.903 ± 0.002°
• β: 99.085 ± 0.002°
• γ: 99.491 ± 0.002°
• Cell volume: 1184.09 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No