Information card for entry 4082406

Structure parameters

• Chemical name: compound 9a
• Formula: C62.5 H56 Cl3 F6 Fe N O P Pd Sb
• Calculated formula: C62.5 H56 Cl3 F6 Fe N O P Pd Sb
• Title of publication: Sterically Demanding Planar Chiral P,N Ligands by Diastereoselective Ortho Lithiation of Pentaphenylferrocenyloxazolines and Their Application to Palladium-Catalyzed Substitutions with Cyclic Allylic Acetates
• Authors of publication: Ayerbe Garcia, Marta; Frey, Wolfgang; Peters, René
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 1068
• a: 9.9163 ± 0.0004 Å
• b: 24.4935 ± 0.0011 Å
• c: 12.3964 ± 0.0006 Å
• α: 90°
• β: 103.723 ± 0.002°
• γ: 90°
• Cell volume: 2924.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No