Information card for entry 7050288

Structure parameters

• Formula: C8 H14 F3 P S
• Calculated formula: C8 H14 F3 P S
• Title of publication: The synthesis and chemistry of fluorovinyl-containing phosphines, and the single crystal X-ray structure of SPPri2(CF=CF2).
• Authors of publication: Alan Brisdon; Nicholas A. Barnes; F.R.William, Brown; Wendy Cross; Ian R. Crossley; Cheryl Fish; James V. Morey; Robin G. Pritchard; Lakhdar Sekhri
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 6.6533 ± 0.001 Å
• b: 8.881 ± 0.002 Å
• c: 9.771 ± 0.002 Å
• α: 82.31 ± 0.02°
• β: 74.07 ± 0.02°
• γ: 86.98 ± 0.02°
• Cell volume: 550.09 ± 0.19 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No