Information card for entry 4071094

Structure parameters

• Formula: C26 H32 B F3 N2 O3 S
• Calculated formula: C26 H32 B F3 N2 O3 S
• SMILES: B([n+]1ccc(N(C)C)cc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Diarylborenium Cations: Synthesis, Structure, and Electrochemistry
• Authors of publication: Chiu, Ching-Wen; Gabbaï, François P.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1657
• a: 8.2944 ± 0.0008 Å
• b: 10.4347 ± 0.001 Å
• c: 16.1597 ± 0.0015 Å
• α: 104.688 ± 0.001°
• β: 96.856 ± 0.001°
• γ: 100.432 ± 0.001°
• Cell volume: 1310.3 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No