Information card for entry 7005784

Structure parameters

• Formula: C34 H66 Cl2 P2 Pd
• Calculated formula: C34 H66 Cl2 P2 Pd
• Title of publication: Pd-catalysed methoxycarbonylation of vinylarenes using chiral monodentate phosphetanes and phospholane as ligands. Effect of substrate substituents on enantioselectivity.
• Authors of publication: Muñoz, Bianca K; Godard, Cyril; Marinetti, Angela; Ruiz, Aurora; Benet-Buchholz, Jordi; Claver, Carmen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 47
• Pages of publication: 5524 - 5530
• a: 13.3102 ± 0.0007 Å
• b: 13.3102 ± 0.0007 Å
• c: 19.1593 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2939.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No