Information card for entry 4037707

Structure parameters

• Formula: C80 H106 Br2 F6 P2 Pd2
• Calculated formula: C80 H106 Br2 F6 P2 Pd2
• Title of publication: Palladium-Catalyzed Synthesis of α-Carbonyl-α'-(Hetero)aryl Sulfoxonium Ylides: Scope and Insight into the Mechanism.
• Authors of publication: Janot, Christopher; Chagnoleau, Jean-Baptiste; Halcovitch, Nathan R.; Muir, James C.; Aissa, Christophe
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 9.09016 ± 0.00017 Å
• b: 13.0151 ± 0.0002 Å
• c: 18.0663 ± 0.0004 Å
• α: 76.5013 ± 0.0016°
• β: 80.0816 ± 0.0016°
• γ: 80.5167 ± 0.0015°
• Cell volume: 2029.92 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No