Information card for entry 7157313

Structure parameters

• Formula: C12 H4 F8 N2 O
• Calculated formula: C12 H4 F8 N2 O
• Title of publication: Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.
• Authors of publication: Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1185 - 1193
• a: 14.0204 ± 0.001 Å
• b: 7.9073 ± 0.0005 Å
• c: 22.6326 ± 0.0016 Å
• α: 90°
• β: 103.22 ± 0.007°
• γ: 90°
• Cell volume: 2442.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No