Information card for entry 4071093

Structure parameters

• Formula: C30 H43 B F3 N4 O3.5 S
• Calculated formula: C30 H43 B F3 N4 O3.5 S
• 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: 8.11 ± 0.003 Å
• b: 13.043 ± 0.004 Å
• c: 15.489 ± 0.005 Å
• α: 85.454 ± 0.003°
• β: 78.149 ± 0.003°
• γ: 83.434 ± 0.004°
• Cell volume: 1590.3 ± 0.9 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: 0.0841
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1276
• 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: Yes
• Has Fobs: No