Information card for entry 1542344

Structure parameters

• Formula: C10 H8 F4 N2 O2
• Calculated formula: C10 H8 F4 N2 O2
• SMILES: FC1(F)n2c(ncc2)[C@@]2(OC(=O)C[C@@H]2C1(F)F)C.FC1(F)n2c(ncc2)[C@]2(OC(=O)C[C@H]2C1(F)F)C
• 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: 20.0066 ± 0.0009 Å
• b: 20.0066 ± 0.0009 Å
• c: 5.3686 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2148.86 ± 0.18 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No