Information card for entry 1547491

Structure parameters

• Formula: C64 H102 P2 Pd
• Calculated formula: C64 H102 P2 Pd
• Title of publication: A Bench-Stable, Single-Component Precatalyst for Silyl-Heck Reactions.
• Authors of publication: Krause, Sarah B.; McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 20
• Pages of publication: 5641 - 5644
• a: 13.9909 ± 0.0007 Å
• b: 21.5456 ± 0.0011 Å
• c: 10.7208 ± 0.0005 Å
• α: 90°
• β: 105.505 ± 0.001°
• γ: 90°
• Cell volume: 3114.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No