Information card for entry 4107000

Structure parameters

• Formula: C30 H24 Cl2 O6 P2 Pd
• Calculated formula: C30 H24 Cl2 O6 P2 Pd
• SMILES: Cl[Pd]1([P](c2ccco2)(c2c(c3c([P]1(c1ccco1)c1occc1)cccc3OC)c(ccc2)OC)c1occc1)Cl
• Title of publication: Diastereocontrol in Asymmetric Allyl-Allyl Cross-Coupling: Stereocontrolled Reaction of Prochiral Allylboronates with Prochiral Allyl Chlorides
• Authors of publication: Laura A. Brozek; Michael J. Ardolino; James P. Morken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16778 - 16781
• a: 11.0719 ± 0.0003 Å
• b: 11.0719 ± 0.0003 Å
• c: 23.9032 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2930.22 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0149
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No