Information card for entry 4084812

Structure parameters

• Formula: C79 H109 B Cu2 N4 O4 Si
• Calculated formula: C79 H109 B Cu2 N4 O4 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: 12.7068 ± 0.0006 Å
• b: 16.1349 ± 0.0008 Å
• c: 19.5473 ± 0.0009 Å
• α: 84.258 ± 0.004°
• β: 74.488 ± 0.004°
• γ: 85.516 ± 0.004°
• Cell volume: 3836.8 ± 0.3 ų
• Cell temperature: 101 ± 3 K
• Ambient diffraction temperature: 101 ± 3 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: 0.0631
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No