Information card for entry 1502209

Structure parameters

• Formula: C43 H56 Cl4 N2 O4 Rh2 S2
• Calculated formula: C43 H56 Cl4 N2 O4 Rh2 S2
• SMILES: [Rh]123([Cl][Rh]45([S@](=O)(N[C@@H](c6ccccc6)[CH]4=[CH]5c4ccccc4)C(C)(C)C)[Cl]2)[S@](=O)(N[C@H]([CH]1=[CH]3c1ccccc1)c1ccccc1)C(C)(C)C.ClCCl.O1CCOCC1
• Title of publication: Simple N-sulfinyl-based chiral sulfur-olefin ligands for rhodium-catalyzed asymmetric 1,4-additions.
• Authors of publication: Feng, Xiangqing; Wang, Yazhou; Wei, Beibei; Yang, Jing; Du, Haifeng
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 3300 - 3303
• a: 15.457 ± 0.002 Å
• b: 15.457 ± 0.002 Å
• c: 42.11 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8713 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No