Information card for entry 7101256

Structure parameters

• Formula: C29 H31 Fe O4 P
• Calculated formula: C29 H31 Fe O4 P
• Title of publication: Efficient and Highly Stereoselective Syntheses of New P-Chiral 1,5-Diphosphanylferrocene Ligands and Their Use in Enantioselective Hydrogenation
• Authors of publication: Weiping Chen.; Stanley Roberts; John Whittall
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 27
• a: 8.2767 ± 0.0008 Å
• b: 10.7033 ± 0.0012 Å
• c: 29.205 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2587.2 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No