Information card for entry 4087766

Structure parameters

• Formula: C51 H44 Cl6 O2 P2 Pd2 S2
• Calculated formula: C51 H44 Cl6 O2 P2 Pd2 S2
• Title of publication: ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations
• Authors of publication: Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4340
• a: 8.7467 ± 0.0005 Å
• b: 10.6016 ± 0.0006 Å
• c: 14.2035 ± 0.0009 Å
• α: 79.599 ± 0.003°
• β: 83.726 ± 0.003°
• γ: 76.827 ± 0.003°
• Cell volume: 1258.15 ± 0.13 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα~1~
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No