Information card for entry 1507327

Structure parameters

• Formula: C20 H14 F N O2
• Calculated formula: C20 H14 F N O2
• SMILES: o1c2n(ccc(=O)c2c(c1c1ccccc1)c1ccc(F)cc1)C
• Title of publication: Palladium-mediated three-component synthesis of furo[2,3-b]pyridones by one-pot coupling of 3-iodopyridones, alkynes, and organic halides.
• Authors of publication: Bossharth, Emmanuel; Desbordes, Philippe; Monteiro, Nuno; Balme, Geneviève
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 14
• Pages of publication: 2441 - 2444
• a: 12.532 ± 0.003 Å
• b: 12.935 ± 0.003 Å
• c: 9.831 ± 0.002 Å
• α: 90°
• β: 92.51 ± 0.03°
• γ: 90°
• Cell volume: 1592.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1063
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No