Information card for entry 7106925

Structure parameters

• Formula: C45 H41.5 B2 F8 N2.5 P2 Pd
• Calculated formula: C45 H41.5 B2 F8 N2.5 P2 Pd
• Title of publication: Coupling of ortho-substituted aryl chlorides with bulky amides
• Authors of publication: Florian C. Falk; Roland Frohlich; Jan Paradies
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11095
• a: 12.1729 ± 0.0001 Å
• b: 16.7826 ± 0.0002 Å
• c: 21.2782 ± 0.0003 Å
• α: 90°
• β: 100.027 ± 0.001°
• γ: 90°
• Cell volume: 4280.59 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No