Information card for entry 4512946

Structure parameters

• Formula: C16 H12 F3 N O2
• Calculated formula: C16 H12 F3 N O2
• Title of publication: Synthetic and Mechanistic Studies on the Solvent-Dependent Copper-Catalyzed Formation of Indolizines and Chalcones
• Authors of publication: Albaladejo, María José; Alonso, Francisco; González-Soria, María José
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 3446
• a: 8.167 ± 0.004 Å
• b: 8.306 ± 0.005 Å
• c: 10.825 ± 0.006 Å
• α: 91.64 ± 0.012°
• β: 99.308 ± 0.012°
• γ: 92.741 ± 0.011°
• Cell volume: 723.3 ± 0.7 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No