Information card for entry 4102385

Structure parameters

• Formula: C32 H37 O P Pd Si2
• Calculated formula: C32 H37 O P Pd Si2
• SMILES: [Pd]123([P](c4ccccc4c4ccccc4)(c4ccccc4)c4ccccc4)[CH]([Si](O[Si]([CH]2=[CH2]3)(C)C)(C)C)=[CH2]1
• 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: 12.243 ± 0.002 Å
• b: 8.8775 ± 0.0018 Å
• c: 27.705 ± 0.006 Å
• α: 90°
• β: 98.35 ± 0.03°
• γ: 90°
• Cell volume: 2979.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No