Information card for entry 4118971

Structure parameters

• Formula: C35 H50 Br P Pd
• Calculated formula: C35 H50 Br P Pd
• Title of publication: Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes
• Authors of publication: Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 19922 - 19934
• a: 10.9679 ± 0.0006 Å
• b: 14.0266 ± 0.0007 Å
• c: 21.0174 ± 0.0011 Å
• α: 90°
• β: 92.757 ± 0.002°
• γ: 90°
• Cell volume: 3229.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No