Information card for entry 4128444

Structure parameters

• Formula: C8 H5 Cu F9 N
• Calculated formula: C8 H5 Cu F9 N
• SMILES: [Cu]([n]1ccccc1)(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Csp³-Csp³ Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.
• Authors of publication: Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 7
• Pages of publication: 3153 - 3159
• a: 16.926 ± 0.004 Å
• b: 9.04 ± 0.002 Å
• c: 15.522 ± 0.004 Å
• α: 90°
• β: 101.987 ± 0.008°
• γ: 90°
• Cell volume: 2323.2 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0982
• 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: No
• Has Fobs: No