Information card for entry 7104119

Structure parameters

• Formula: C19 H29 P Si2
• Calculated formula: C19 H29 P Si2
• SMILES: C1(=C(C2c3c(cccc3)P1C(=C2C)[Si](C)(C)C)C)[Si](C)(C)C
• Title of publication: 1-phosphabarrelene complexes of palladium and their use in Suzuki-Miyaura coupling reactions.
• Authors of publication: Blug, Matthias; Guibert, Clément; Le Goff, Xavier-Frederic; Mézailles, Nicolas; Le Floch, Pascal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 201 - 203
• a: 15.043 ± 0.001 Å
• b: 16.246 ± 0.001 Å
• c: 8.401 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.1 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No