Information card for entry 7107380

Structure parameters

• Formula: C52 H90 Cl4 Fe2 N4 O27
• Calculated formula: C52 H90 Cl4 Fe2 N4 O27
• Title of publication: Highly efficient Mukaiyama aldol reaction in aqueous conditions using a chiral bipyridine iron(II) catalyst
• Authors of publication: Thierry Ollevier; Baptiste Plancq
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2289
• a: 10.3018 ± 0.0005 Å
• b: 18.0268 ± 0.0008 Å
• c: 36.4909 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6776.7 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0984
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No