Information card for entry 4035098

Structure parameters

• Formula: C54 H44 Cl6 F4 O4 Rh2 S4
• Calculated formula: C54 H44 Cl6 F4 O4 Rh2 S4
• SMILES: [Rh]12([Cl][Rh]3([Cl]1)[S@](c1c(c(ccc1)F)c1c(cccc1F)[S@@]3(=O)c1ccc(cc1)C)(=O)c1ccc(cc1)C)[S@](c1c(c(ccc1)F)c1c(cccc1F)[S@@]2(=O)c1ccc(cc1)C)(=O)c1ccc(cc1)C.ClCCl.ClCCl
• Title of publication: Electronic and Steric Tuning of an Atropisomeric Disulfoxide Ligand Motif and Its Use in the Rh(I)-Catalyzed Addition Reactions of Boronic Acids to a Wide Range of Acceptors.
• Authors of publication: Zhao, Guang-Zhen; Foster, Daven; Sipos, Gellért; Gao, Pengchao; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 9741 - 9755
• a: 12.6789 ± 0.0002 Å
• b: 15.7548 ± 0.0003 Å
• c: 27.245 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5442.29 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No