Information card for entry 7120842

Structure parameters

• Formula: C16 H9 F9 N2 O2
• Calculated formula: C16 H9 F9 N2 O2
• Title of publication: Photoinduced, copper-catalyzed three components cyanofluoroalkylation of alkenes with fluoroalkyl iodides as fluoroalkylation reagents
• Authors of publication: Guo, Quanping; Wang, Mengran; Wang, Yanfang; Xu, Zhaoqing; Wang, Rui
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 5.7476 ± 0.0007 Å
• b: 11.287 ± 0.0013 Å
• c: 14.038 ± 0.0017 Å
• α: 76.581 ± 0.01°
• β: 85.498 ± 0.01°
• γ: 83.205 ± 0.01°
• Cell volume: 878.38 ± 0.19 ų
• Cell temperature: 291.08 ± 0.1 K
• Ambient diffraction temperature: 291.08 ± 0.1 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: 0.1501
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2296
• Weighted residual factors for all reflections included in the refinement: 0.2871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No