Information card for entry 7119526

Structure parameters

• Chemical name: (E)-((1-fluoro-2-(naphthalen-2-yl)vinyl)diphenylphosphine borane
• Formula: C24 H21 B F P
• Calculated formula: C24 H21 B F P
• SMILES: [P](/C(=C/c1cc2ccccc2cc1)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: 9.7951 ± 0.0002 Å
• b: 15.626 ± 0.0003 Å
• c: 13.7061 ± 0.0003 Å
• α: 90°
• β: 110.495 ± 0.0013°
• γ: 90°
• Cell volume: 1965.04 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No