Information card for entry 4120542

Structure parameters

• Common name: [(L1)Cu(NHSO2Ph)]
• Formula: C20 H24 Cu N3 O3 S
• Calculated formula: C20 H24 Cu N3 O3 S
• Title of publication: Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.
• Authors of publication: Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 6
• Pages of publication: 2555 - 2563
• a: 9.7344 ± 0.0017 Å
• b: 16.996 ± 0.002 Å
• c: 12.836 ± 0.003 Å
• α: 90°
• β: 110.84 ± 0.02°
• γ: 90°
• Cell volume: 1984.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No