Information card for entry 1573045

Structure parameters

• Formula: C66 H44 B Cl4 F20 N O P2
• Calculated formula: C66 H44 B Cl4 F20 N O 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: 2025
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1716 - 1721
• a: 13.37 ± 0.006 Å
• b: 15.247 ± 0.008 Å
• c: 16.3 ± 0.006 Å
• α: 87.59 ± 0.02°
• β: 75.11 ± 0.02°
• γ: 79.81 ± 0.02°
• Cell volume: 3161 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No