Information card for entry 7151932

Structure parameters

• Formula: C23 H18 F2 N2
• Calculated formula: C23 H18 F2 N2
• SMILES: FC(F)C1=CC(=NC(N1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Selective synthesis of poly-substituted fluorine-containing pyridines and dihydropyrimidines via cascade C-F bond cleavage protocol.
• Authors of publication: Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 16
• Pages of publication: 5682 - 5691
• a: 23.699 ± 0.002 Å
• b: 10.1868 ± 0.0009 Å
• c: 17.9095 ± 0.0017 Å
• α: 90°
• β: 123.02 ± 0.001°
• γ: 90°
• Cell volume: 3625.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No