Information card for entry 4084808

Structure parameters

• Formula: C43.5 H61 Cu N2 O Si
• Calculated formula: C43.5 H61 Cu N2 O Si
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Cu]OC1=CC(CCC1)[Si](C)(C)c1ccccc1.CCCCC
• 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: 36.8163 ± 0.0016 Å
• b: 15.2284 ± 0.0005 Å
• c: 16.079 ± 0.0006 Å
• α: 90°
• β: 112.052 ± 0.005°
• γ: 90°
• Cell volume: 8355.3 ± 0.6 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: 0.0762
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No