Information card for entry 4515564

Structure parameters

• Formula: C14 H13 Cu F3 N2 O7 S2
• Calculated formula: C14 H13 Cu F3 N2 O7 S2
• Title of publication: Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism
• Authors of publication: Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 7308
• a: 7.9814 ± 0.0003 Å
• b: 11.0894 ± 0.0004 Å
• c: 11.102 ± 0.0004 Å
• α: 96.461 ± 0.001°
• β: 100.176 ± 0.001°
• γ: 110.007 ± 0.001°
• Cell volume: 892.77 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No