Information card for entry 4515478

Structure parameters

• Formula: C15 H24 F6 N P
• Calculated formula: C15 H24 F6 N P
• Title of publication: Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation
• Authors of publication: Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 599
• a: 19.003 ± 0.004 Å
• b: 10.452 ± 0.002 Å
• c: 8.8763 ± 0.0018 Å
• α: 90°
• β: 96.73 ± 0.03°
• γ: 90°
• Cell volume: 1750.9 ± 0.6 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2987
• Weighted residual factors for all reflections included in the refinement: 0.3075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No