Information card for entry 1540718

Structure parameters

• Formula: C35 H37 F3 N O7 P2 Rh S
• Calculated formula: C35 H37 F3 N O7 P2 Rh S
• SMILES: [Rh]1(OC(=CC(=[O]1)C)C)([P](N([P+](c1ccccc1)(c1ccccc1)C)CCOC)(c1ccccc1)c1ccccc1)C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Phosphonium-based aminophosphines as bifunctional ligands for sequential catalysis of one-pot hydroformylation‒acetalization of olefins
• Authors of publication: Wang, Peng; Liu, Huan; Li, Yong-Qi; Zhao, Xiao-Li; Lu, Yong; Liu, Ye
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 3854
• a: 11.2087 ± 0.0004 Å
• b: 15.5479 ± 0.0006 Å
• c: 20.7874 ± 0.0008 Å
• α: 90°
• β: 97.185 ± 0.001°
• γ: 90°
• Cell volume: 3594.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No