Information card for entry 4110679

Structure parameters

• Common name: ethyl(2-furyl)diphenylphosphonium iodide
• Formula: C37 H28 I2 O P2
• Calculated formula: C37 H28 I2 O P2
• Title of publication: Electronic Properties of Furyl Substituents at Phosphorus and Their Influence on 31P NMR Chemical Shifts
• Authors of publication: Marco Ackermann; Aurelia Pascariu; Thomas Höcher; Hans-Ullrich Siehl; Stefan Berger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 8434 - 8440
• a: 10.2558 ± 0.0016 Å
• b: 12.515 ± 0.002 Å
• c: 15.051 ± 0.002 Å
• α: 69.132 ± 0.003°
• β: 80.813 ± 0.003°
• γ: 83.241 ± 0.003°
• Cell volume: 1778.1 ± 0.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No