Information card for entry 4066965

Structure parameters

• Formula: C26.5 H33.5 Cl2.5 N2 Pd
• Calculated formula: C26.5 H33 Cl2.5 N2 Pd
• Title of publication: Eight-Membered Palladacycles Derived from the Insertion of Olefins into the Pd−C Bond of Ortho-Palladated Pharmaceuticals Phenethylamine and Phentermine. Synthesis of Stable Heck-Type Intermediates Containing Accessible β-Hydrogens and Its Use in the Synthesis of 2-Styrylphenethylamines, Tetrahydroisoquinolines, and Eight-Membered Cyclic Amidines†
• Authors of publication: Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4320
• a: 8.9523 ± 0.0007 Å
• b: 11.2509 ± 0.0009 Å
• c: 13.0758 ± 0.0011 Å
• α: 86.83 ± 0.002°
• β: 76.836 ± 0.002°
• γ: 86.417 ± 0.002°
• Cell volume: 1278.76 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No