Information card for entry 1518492

Structure parameters

• Formula: C32 H22 B Cl3 F4 N2 O2
• Calculated formula: C32 H22 B Cl3 F4 N2 O2
• SMILES: [B](F)(F)(F)[F-].[n+]1(N2C(=O)c3ccccc3C2=O)c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes.
• Authors of publication: Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 254 - 257
• a: 30.8526 ± 0.0005 Å
• b: 11.997 ± 0.0002 Å
• c: 18.7562 ± 0.0003 Å
• α: 90°
• β: 113.744 ± 0.001°
• γ: 90°
• Cell volume: 6354.75 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No