Information card for entry 7135753

Structure parameters

• Formula: C22 H13 F3 N2 O
• Calculated formula: C22 H13 F3 N2 O
• Title of publication: Cu(OTf)2-Catalyzed Access to 2,4,5-Trisubstituted Imidazoles from Acyclic Reissert Compounds
• Authors of publication: Sathyendran, Swetha; Moorthi, Vikraman Ganesh; Nokku, Sharmila; Joel, Aron Manick; Chandrasekaran, Suryanarayanan; Lin, Wei-Yu; Senadi, Gopal Chandru
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 20.3531 ± 0.0004 Å
• b: 6.3271 ± 0.0002 Å
• c: 26.0541 ± 0.0005 Å
• α: 90°
• β: 90.101 ± 0.002°
• γ: 90°
• Cell volume: 3355.14 ± 0.14 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No