Information card for entry 4078260

Structure parameters

• Formula: C24 H40 N2 O10 Pd
• Calculated formula: C24 H40 N2 O10 Pd
• SMILES: C(Cc1cc(c(cc1)OC)OC)[NH2][Pd](OC(=O)C)([NH2]CCc1cc(c(cc1)OC)OC)OC(=O)C.O.O
• 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: 16.5114 ± 0.0007 Å
• b: 5.3548 ± 0.0002 Å
• c: 16.3972 ± 0.0007 Å
• α: 90°
• β: 109.139 ± 0.002°
• γ: 90°
• Cell volume: 1369.63 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0327
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No