Information card for entry 7151931

Structure parameters

• Formula: C23 H17 F N2
• Calculated formula: C23 H17 F N2
• SMILES: Fc1c(nc(cc1Nc1ccccc1)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: 7.4524 ± 0.001 Å
• b: 19.81 ± 0.003 Å
• c: 11.805 ± 0.0016 Å
• α: 90°
• β: 90.816 ± 0.003°
• γ: 90°
• Cell volume: 1742.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No