Information card for entry 7119656

Structure parameters

• Formula: C20 H17 B F4 O
• Calculated formula: C20 H17 B F4 O
• SMILES: [B](F)(F)(F)[F-].O(C)c1ccc([C+](c2ccccc2)c2ccccc2)cc1
• Title of publication: The air-stable carbocation salt [(MeOC6H4)CPh2][BF4] in Lewis acid catalyzed hydrothiolation of alkenes
• Authors of publication: Eliar Mosaferi; David Ripsman; Douglas W. Stephan
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8291
• a: 7.7761 ± 0.0016 Å
• b: 15.354 ± 0.003 Å
• c: 14.48 ± 0.003 Å
• α: 90°
• β: 95.766 ± 0.008°
• γ: 90°
• Cell volume: 1720.1 ± 0.6 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 150.89 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: 0.1255
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.3087
• Weighted residual factors for all reflections included in the refinement: 0.322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0549
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No