Information card for entry 7112986

Structure parameters

• Formula: C9 H13 B F3 N
• Calculated formula: C9 H13 B F3 N
• SMILES: F[B](F)(F)c1c([N+](C)(C)C)cccc1
• Title of publication: Stabilization of zwitterionic aryltrifluoroborates against hydrolysis.
• Authors of publication: Wade, Casey R.; Zhao, Haiyan; Gabbaï, François P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 34
• Pages of publication: 6380 - 6381
• a: 7.0647 ± 0.0002 Å
• b: 13.0809 ± 0.0003 Å
• c: 10.1994 ± 0.0002 Å
• α: 90°
• β: 95.349 ± 0.001°
• γ: 90°
• Cell volume: 938.45 ± 0.04 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No