Information card for entry 7217702

Structure parameters

• Chemical name: 3,5-diphenyl-1-(trifluoromethyl)-3,11-dihydro-5,11-methanobenzo[7,8][1,3]dioxocino[4,5-c]pyrazole
• Formula: C25 H17 F3 N2 O2
• Calculated formula: C25 H17 F3 N2 O2
• Title of publication: A simple and catalyst free one pot access to the pyrazolone fused 2,8-dioxabicyclo[3.3.1]nonanes
• Authors of publication: Atmakur, Krishnaiah; Bingi, Chiranjeevi; Emmadi, Narender Reddy; Chennapuram, Madhu; Nanubolu, Jagadeesh Babu
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 12.4985 ± 0.0013 Å
• b: 9.3025 ± 0.0009 Å
• c: 18.0441 ± 0.0018 Å
• α: 90°
• β: 90.754 ± 0.002°
• γ: 90°
• Cell volume: 2097.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No