Information card for entry 4022173

Structure parameters

• Chemical name: (S~Fc~,S~S~)-2-(N-tosyl-1-amino-2,2-dimethylpropyl)-1-t-butylsulfinyl ferrocene
• Formula: C26 H35 Fe N O3 S2
• Calculated formula: C26 H35 Fe N O3 S2
• Title of publication: Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines
• Authors of publication: Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 9572 - 9579
• a: 16.2321 ± 0.0003 Å
• b: 17.8126 ± 0.0004 Å
• c: 18.5205 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5354.94 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0571
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No