Information card for entry 7127278

Structure parameters

• Formula: C42 H44 Cl2 O2.67 P2 Pd2
• Calculated formula: C42 H44 Cl2 O2.66667 P2 Pd2
• Title of publication: Secondary phosphine oxide-triggered selective oxygenation of a benzyl ligand on palladium.
• Authors of publication: Oka, Sayaka; Shigehiro, Yuma; Kataoka, Yasutaka; Ura, Yasuyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 85
• Pages of publication: 12977 - 12980
• a: 10.05 ± 0.004 Å
• b: 13.715 ± 0.005 Å
• c: 23.78 ± 0.008 Å
• α: 78.415 ± 0.007°
• β: 81.104 ± 0.007°
• γ: 86.079 ± 0.007°
• Cell volume: 3170 ± 2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 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: 0.0894
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No