Information card for entry 4125301

Structure parameters

• Formula: C54 H51 B N O P Pd
• Calculated formula: C54 H51 B N O P Pd
• Title of publication: Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.
• Authors of publication: Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 44
• Pages of publication: 14566 - 14569
• a: 12.0431 ± 0.0009 Å
• b: 15.597 ± 0.0012 Å
• c: 23.7704 ± 0.0017 Å
• α: 85.72 ± 0.003°
• β: 89.462 ± 0.003°
• γ: 87.941 ± 0.004°
• Cell volume: 4449.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No