Information card for entry 7157200

Structure parameters

• Formula: C19 H13 Cl F3 N
• Calculated formula: C19 H13 Cl F3 N
• Title of publication: Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones
• Authors of publication: Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 19.452 ± 0.007 Å
• b: 16.461 ± 0.007 Å
• c: 10.122 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3241 ± 2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295.15 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No