Information card for entry 4131650

Structure parameters

• Formula: C20 H39 Cu F9 N
• Calculated formula: C20 H39 Cu F9 N
• SMILES: [Cu](C(F)(F)F)(C(F)(F)F)(C(F)(F)F)C.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Silver-Catalyzed Decarboxylative Trifluoromethylation of Aliphatic Carboxylic Acids.
• Authors of publication: Tan, Xinqiang; Liu, Zhonglin; Shen, Haigen; Zhang, Pei; Zhang, Zhenzhen; Li, Chaozhong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 36
• Pages of publication: 12430 - 12433
• a: 9.8347 ± 0.0006 Å
• b: 10.9173 ± 0.0007 Å
• c: 13.2494 ± 0.0008 Å
• α: 100.003 ± 0.002°
• β: 96.765 ± 0.002°
• γ: 104.964 ± 0.002°
• Cell volume: 1333.51 ± 0.14 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301.44 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: 0.1292
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2594
• Weighted residual factors for all reflections included in the refinement: 0.3027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No