Information card for entry 4515563

Structure parameters

• Formula: C26 H24 Cu N4 O7 S2
• Calculated formula: C26 H24 Cu N4 O7 S2
• SMILES: [Cu]123(OS(=O)(=O)c4c([N]2=Cc2[n]1cccc2)ccc(c4)C)[n]1ccccc1C=[N]3c1ccc(cc1S(=O)(=O)[O-])C.O
• 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: 17.7588 ± 0.0004 Å
• b: 13.939 ± 0.0003 Å
• c: 20.7682 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5140.96 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No