Information card for entry 7153263

Structure parameters

• Formula: C61 H41 F26 O5 P2 Ru Sb
• Calculated formula: C61 H41 F26 O5 P2 Ru Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Ru]12345([P](O[C@H](c6ccccc6)[C@H](O[P]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(c(F)c1F)F)([cH]1[cH]5[cH]2[cH]4[cH]31)[O]=C1C=CCCC1.C1CCC=CC1=O.O=C1CCCC=C1
• 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: 0.0201
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for all reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No