Information card for entry 1556123

Structure parameters

• Common name: weixrs03
• Formula: C17 H28 Cl N Ni O Si
• Calculated formula: C17 H28 Cl N Ni O Si
• SMILES: [Ni]12(Cl)(C3([CH]1=[CH]2CCC3)O[Si](CC)(CC)CC)[n]1ccccc1
• Title of publication: Reductive conjugate addition of haloalkanes to enones to form silyl enol ethers.
• Authors of publication: Shrestha, Ruja; Weix, Daniel J.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 2766 - 2769
• a: 11.287 ± 0.002 Å
• b: 10.884 ± 0.002 Å
• c: 15.828 ± 0.003 Å
• α: 90°
• β: 107.092 ± 0.003°
• γ: 90°
• Cell volume: 1858.6 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0934
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No