Information card for entry 7153676

Structure parameters

• Formula: C18 H9 F6 N3
• Calculated formula: C18 H9 F6 N3
• Title of publication: Design and synthesis of imidazo[1,2-α][1,8]naphthyridine derivatives as anti-HCV agents via direct C-H arylation.
• Authors of publication: Huang, Shengdian; Qing, Jie; Wang, Shuo; Wang, Huan; Zhang, Linqi; Tang, Yefeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 2344 - 2348
• a: 14.868 ± 0.004 Å
• b: 9.506 ± 0.003 Å
• c: 11.977 ± 0.004 Å
• α: 90°
• β: 111.598 ± 0.003°
• γ: 90°
• Cell volume: 1573.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No