Information card for entry 4107993

Structure parameters

• Formula: C31 H44 Cu F3 N2 Si
• Calculated formula: C31 H44 Cu F3 N2 Si
• SMILES: [Cu](C(F)(F)F)=C1N(C([Si](C)(C)C)=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Active Trifluoromethylating Agents from Well-Defined Copper(I)-CF3 Complexes
• Authors of publication: Galyna G. Dubinina; Hideki Furutachi; David A. Vicic
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8600 - 8601
• a: 10.86 ± 0.15 Å
• b: 14.76 ± 0.05 Å
• c: 20.36 ± 0.1 Å
• α: 90°
• β: 94.8 ± 0.3°
• γ: 90°
• Cell volume: 3252 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No