Information card for entry 4084809

Structure parameters

• Formula: C41 H57 Cu N2 O Si
• Calculated formula: C41 H57 Cu N2 O Si
• Title of publication: CuI-Catalyzed Conjugate Addition of Silyl Boronic Esters: Retracing Catalytic Cycles Using Isolated Copper and Boron Enolate Intermediates
• Authors of publication: Plotzitzka, Jacqueline; Kleeberg, Christian
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6915
• a: 16.5255 ± 0.0004 Å
• b: 15.0543 ± 0.0003 Å
• c: 17.0781 ± 0.0005 Å
• α: 90°
• β: 112.156 ± 0.003°
• γ: 90°
• Cell volume: 3934.97 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No