Information card for entry 4074418

Structure parameters

• Formula: C39 H36 B Cl F4 N P Rh
• Calculated formula: C38 H34 B F4 N P Rh
• Title of publication: A New Bidentate Aminophosphole−Olefin Ligand for the Rhodium-Catalyzed Hydroformylation of Mono- and Disubstituted Olefins
• Authors of publication: Mora, Guilhem; van Zutphen, Steven; Thoumazet, Claire; Le Goff, Xavier F.; Ricard, Louis; Grutzmacher, Hansjorg; Le Floch, Pascal
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5528
• a: 13.045 ± 0.001 Å
• b: 18.666 ± 0.001 Å
• c: 15.627 ± 0.001 Å
• α: 90°
• β: 109.751 ± 0.001°
• γ: 90°
• Cell volume: 3581.3 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0615
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No