Information card for entry 4115667

Structure parameters

• Chemical name: Dichloro-{2-[ethenyloxymethyl]pyridine}palladium
• Formula: C8 H9 Cl2 N O Pd
• Calculated formula: C8 H9 Cl2 N O Pd
• SMILES: [Pd]12(Cl)(Cl)[n]3c(CO[CH]2=[CH2]1)cccc3
• Title of publication: Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process
• Authors of publication: Peter Nilsson; Mats Larhed; Anders Hallberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8217 - 8225
• a: 8.223 ± 0.002 Å
• b: 17.301 ± 0.005 Å
• c: 7.433 ± 0.002 Å
• α: 90°
• β: 111.931 ± 0.005°
• γ: 90°
• Cell volume: 980.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0257
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No