Information card for entry 7119527

Structure parameters

• Chemical name: (E)-((2-(4-chlorophenyl)-1 fluorovinyl)diphenyl phosphine borane
• Formula: C20 H18 B Cl F P
• Calculated formula: C20 H18 B Cl F P
• SMILES: [P](c1ccccc1)(c1ccccc1)(C(=C\c1ccc(Cl)cc1)\F)[BH3]
• Title of publication: Transition metal-free stereospecific access to (E)-(1-fluoro-2-arylvinyl)phosphine borane complexes.
• Authors of publication: Rousée, Kevin; Pannecoucke, Xavier; Gaumont, Annie-Claude; Lohier, Jean-François; Morlet-Savary, Fabrice; Lalevée, Jacques; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel; Lakhdar, Sami
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 2048 - 2051
• a: 8.8929 ± 0.0002 Å
• b: 9.3285 ± 0.0002 Å
• c: 12.026 ± 0.0003 Å
• α: 68.322 ± 0.001°
• β: 83.017 ± 0.001°
• γ: 80.732 ± 0.001°
• Cell volume: 912.89 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1011
• 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