Information card for entry 4036182

Structure parameters

• Formula: C14 H16 B F4 N O
• Calculated formula: C14 H16 B F3.9996 N O
• SMILES: C(=c1cc([nH+]c1C)C)c1ccc(cc1)OC.[B](F)(F)(F)[F-]
• Title of publication: Synthesis of bench-stable diarylmethylium tetrafluoroborates.
• Authors of publication: Barbero, Margherita; Buscaino, Roberto; Cadamuro, Silvano; Dughera, Stefano; Gualandi, Andrea; Marabello, Domenica; Cozzi, Pier Giorgio
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 4791 - 4796
• a: 13.8025 ± 0.0013 Å
• b: 12.8183 ± 0.0006 Å
• c: 16.7453 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2962.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2737
• Weighted residual factors for all reflections included in the refinement: 0.2891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No