Information card for entry 4117182

Structure parameters

• Formula: C52 H69 N O5.5 P
• Calculated formula: C52 H68 N O5.5 P
• Title of publication: Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity
• Authors of publication: Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 9841 - 9849
• a: 10.988 ± 0.003 Å
• b: 21.98 ± 0.005 Å
• c: 22.108 ± 0.005 Å
• α: 110.05 ± 0.01°
• β: 101.77 ± 0.02°
• γ: 92.94 ± 0.01°
• Cell volume: 4868 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections: 0.2256
• Weighted residual factors for significantly intense reflections: 0.1768
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No