Information card for entry 1573051

Structure parameters

• Formula: C48 H34 Al F36 N O5 P2
• Calculated formula: C48 H34 Al F36 N O5 P2
• Title of publication: Structural Constraint at a P–P Bond: Phosphinophosphination of Alkenes, Alkynes, and Carbonyls by a Concerted Mechanism
• Authors of publication: You, Lijun; Roth, Daniel; Greb, Lutz
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 20.836 ± 0.013 Å
• b: 18.713 ± 0.009 Å
• c: 29.74 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11596 ± 11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No