Information card for entry 4102387

Structure parameters

• Formula: C31 H37 O P Pd Si2
• Calculated formula: C31 H37 O P Pd Si2
• SMILES: [Pd]123([P](c4c(ccc5ccccc45)C)(c4ccccc4)c4ccccc4)[CH2]=[CH]1[Si](O[Si]([CH]2=[CH2]3)(C)C)(C)C
• Title of publication: Efficient Bulky Phosphines for the Selective Telomerization of 1,3-Butadiene with Methanol
• Authors of publication: Mathieu J.-L. Tschan; Eduardo J. García-Suárez; Zoraida Freixa; Hélène Launay; Henk Hagen; Jordi Benet-Buchholz; Piet W. N. M. van Leeuwen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6463 - 6473
• a: 10.2083 ± 0.0003 Å
• b: 12.3688 ± 0.0004 Å
• c: 12.3907 ± 0.0004 Å
• α: 90.612 ± 0.002°
• β: 94.807 ± 0.001°
• γ: 110.861 ± 0.001°
• Cell volume: 1455.42 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No