Information card for entry 1542342

Structure parameters

• Formula: C10 H12 F4 N2 O
• Calculated formula: C10 H12 F4 N2 O
• SMILES: FC1(F)n2c(ncc2)[C@](O)([C@@H](C1(F)F)C)CC.FC1(F)n2c(ncc2)[C@@](O)([C@H](C1(F)F)C)CC
• Title of publication: Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.
• Authors of publication: Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 756 - 759
• a: 7.1579 ± 0.0006 Å
• b: 12.4992 ± 0.0009 Å
• c: 24.3054 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2174.6 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No