Information card for entry 4025907

Structure parameters

• Formula: C22 H20 F3 N3 O3
• Calculated formula: C22 H20 F3 N3 O3
• Title of publication: Synthesis of Oxazolo[4,5-c]quinoline TRPV1 Antagonists
• Authors of publication: Eric A. Voight; Jerome F. Daanen; Michael E. Kort
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 8713 - 8715
• a: 10.064 ± 0.008 Å
• b: 10.526 ± 0.008 Å
• c: 11.221 ± 0.008 Å
• α: 64.673 ± 0.009°
• β: 87.338 ± 0.01°
• γ: 67.624 ± 0.01°
• Cell volume: 983.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No