Information card for entry 4108640

Structure parameters

• Formula: C38 H22 Cu2 F8 N4 O2
• Calculated formula: C38 H22 Cu2 F8 N4 O2
• SMILES: c1ccc2c3[n]1[Cu]([n]1cccc(c31)cc2)(c1c(F)c(F)c(c(F)c1F)OC)[Cu]1([n]2cccc3ccc4ccc[n]1c4c23)c1c(F)c(F)c(OC)c(F)c1F
• Title of publication: A General Method for Copper-Catalyzed Arylation of Arene C-H Bonds
• Authors of publication: Hien-Quang Do; Rana M. Kashif Khan; Olafs Daugulis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15185 - 15192
• a: 9.3839 ± 0.0006 Å
• b: 17.3423 ± 0.0011 Å
• c: 10.0786 ± 0.0006 Å
• α: 90°
• β: 93.516 ± 0.001°
• γ: 90°
• Cell volume: 1637.09 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No