Information card for entry 4084813

Structure parameters

• Formula: C39 H53 Cu N2 O Si
• Calculated formula: C39 H53 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: 37.256 ± 0.003 Å
• b: 14.965 ± 0.0009 Å
• c: 16.367 ± 0.0013 Å
• α: 90°
• β: 104.354 ± 0.008°
• γ: 90°
• Cell volume: 8840.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2178
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No