Information card for entry 4078259

Structure parameters

• Formula: C20 H30 Br2 N2 O4 Pd
• Calculated formula: C20 H30 Br2 N2 O4 Pd
• Title of publication: Ortho Palladation of the Phenethylamines of Biological Relevancel-Tyrosine Methyl Ester and Homoveratrylamine. Reactivity of the Palladacycles toward CO and Isocyanides. Synthesis of the Natural Alkaloid Corydaldine
• Authors of publication: Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3647
• a: 8.334 ± 0.0008 Å
• b: 8.4418 ± 0.0008 Å
• c: 17.1024 ± 0.0017 Å
• α: 93.04 ± 0.002°
• β: 100.487 ± 0.002°
• γ: 93.215 ± 0.002°
• Cell volume: 1178.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No