Information card for entry 7154419

Structure parameters

• Formula: C54 H43 Cl2 F3 O3 P2 Pd S
• Calculated formula: C54 H43 Cl2 F3 O3 P2 Pd S
• Title of publication: A general Pd-catalyzed α- and γ-benzylation of aldehydes for the formation of quaternary centers.
• Authors of publication: Franzoni, Ivan; Guénée, Laure; Mazet, Clément
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6338 - 6343
• a: 10.907 ± 0.0003 Å
• b: 20.1115 ± 0.0005 Å
• c: 11.0941 ± 0.0003 Å
• α: 90°
• β: 99.508 ± 0.003°
• γ: 90°
• Cell volume: 2400.13 ± 0.11 ų
• Cell temperature: 180 ± 0.14 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No