Information card for entry 4069573

Structure parameters

• Formula: C46 H37 I P2 Pd
• Calculated formula: C46 H37 I P2 Pd
• SMILES: [Pd](I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc2ccccc12
• Title of publication: Palladium-Catalyzed Intramolecular Reactions of (E)-2,2-Disubstituted 1-Alkenyldimethylalanes with Aryl Triflates
• Authors of publication: Fillion, Eric; Trépanier, Vincent É.; Heikkinen, Jarkko J.; Remorova, Anna A.; Carson, Rebekah J.; Goll, Julie M.; Seed, Adam
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3518
• a: 11.9735 ± 0.0004 Å
• b: 29.1706 ± 0.001 Å
• c: 11.1652 ± 0.0004 Å
• α: 90°
• β: 101.228 ± 0.001°
• γ: 90°
• Cell volume: 3825.1 ± 0.2 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 5
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.367
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No