Information card for entry 4075202

Structure parameters

• Formula: C47 H27 Cl F24 O P2 Pd
• Calculated formula: C47 H27 Cl F24 O P2 Pd
• Title of publication: Electronic Effect of Diphosphines on the Regioselectivity of the Palladium-Catalyzed Hydroesterification of Styrene
• Authors of publication: Guiu, Ester; Caporali, Maria; Muñoz, Bianca; Müller, Christian; Lutz, Martin; Spek, Anthony L.; Claver, Carmen; van Leeuwen, Piet W. N. M.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 3102
• a: 10.27233 ± 0.0001 Å
• b: 17.92498 ± 0.00009 Å
• c: 29.46355 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5425.16 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No