Information card for entry 1507752

Structure parameters

• Formula: C42 H36 O4 P2 Pd
• Calculated formula: C42 H36 O4 P2 Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)C(=C1C(=O)OC)C(=O)OC
• Title of publication: Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.
• Authors of publication: Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2902 - 2905
• a: 10.26586 ± 0.00019 Å
• b: 10.791 ± 0.0002 Å
• c: 18.0287 ± 0.0003 Å
• α: 77.9626 ± 0.001°
• β: 72.5847 ± 0.0009°
• γ: 71.159 ± 0.001°
• Cell volume: 1789.64 ± 0.06 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No