Information card for entry 7119528

Structure parameters

• Chemical name: (E)-((2-(3-chlorophenyl)-1 fluorovinyl)diphenyl phosphine borane
• Formula: C20 H18 B Cl F P
• Calculated formula: C20 H18 B Cl F P
• SMILES: [P](/C(=C/c1cc(Cl)ccc1)F)(c1ccccc1)(c1ccccc1)[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: 11.872 ± 0.0004 Å
• b: 12.1211 ± 0.0004 Å
• c: 13.7228 ± 0.0005 Å
• α: 90°
• β: 112.155 ± 0.0013°
• γ: 90°
• Cell volume: 1828.93 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No