Information card for entry 7153264

Structure parameters

• Formula: C61 H41 F26 O5 P2 Ru Sb
• Calculated formula: C61 H41 F26 O5 P2 Ru Sb
• Title of publication: Asymmetric ruthenium-catalyzed 1,4-additions of aryl thiols to enones.
• Authors of publication: Bădoiu, Andrei; Bernardinelli, Gerald; Besnard, Céline; Kündig, E Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 193 - 200
• a: 11.3765 ± 0.0003 Å
• b: 20.5459 ± 0.0005 Å
• c: 14.0307 ± 0.0003 Å
• α: 90°
• β: 108.148 ± 0.002°
• γ: 90°
• Cell volume: 3116.4 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No