Information card for entry 7235643

Structure parameters

• Formula: C14 H9 F N2 O
• Calculated formula: C14 H9 F N2 O
• Title of publication: Copper-catalyzed N-arylation of azoles and diazoles using highly functionalized trivalent organobismuth reagents
• Authors of publication: Petiot, Pauline; Dansereau, Julien; Gagnon, Alexandre
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 42
• Pages of publication: 22255
• a: 3.7653 ± 0.0001 Å
• b: 17.7911 ± 0.0004 Å
• c: 16.0214 ± 0.0003 Å
• α: 90°
• β: 92.874 ± 0.002°
• γ: 90°
• Cell volume: 1071.9 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No