Information card for entry 7157180

Structure parameters

• Formula: C11 H9 F3 N2
• Calculated formula: C11 H9 F3 N2
• Title of publication: Synthesis of Tri(di)fluoroethylanilines via Copper-Catalyzed Coupling Reaction of Tri(di)fluoroethylamine with (Hetero)Aromatic Bromides
• Authors of publication: Chen, Suo; Wang, Hui; Jiang, Wei; Rui, Pei-Xin; Hu, Xiang-Guo
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 23.51 ± 0.002 Å
• b: 23.51 ± 0.002 Å
• c: 4.8517 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2322.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No