Information card for entry 4123127

Structure parameters

• Formula: C35 H40 Cl4 F6 Fe P2 Pd
• Calculated formula: C35 H40 Cl4 F6 Fe P2 Pd
• Title of publication: Nonracemic Allylic Boronates through Enantiotopic-Group-Selective Cross-Coupling of Geminal Bis(boronates) and Vinyl Halides.
• Authors of publication: Potter, Bowman; Szymaniak, Adam A.; Edelstein, Emma K.; Morken, James P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141215065957008
• a: 20.26 ± 0.003 Å
• b: 13.91 ± 0.002 Å
• c: 29.599 ± 0.004 Å
• α: 90°
• β: 102.459 ± 0.004°
• γ: 90°
• Cell volume: 8145 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No