Information card for entry 4074593

Structure parameters

• Formula: C21 H11 B F10
• Calculated formula: C21 H11 B F10
• SMILES: B(c1c(cc(cc1C)C)C)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: An Estimate of the Reduction Potential of B(C6F5)3from Electrochemical Measurements on Related Mesityl Boranes
• Authors of publication: Cummings, Sarah A.; Iimura, Masanori; Harlan, C. Jeff; Kwaan, Rebecca J.; Trieu, Isabelle Vu; Norton, Jack R.; Bridgewater, Brian M.; Jäkle, Frieder; Sundararaman, Anand; Tilset, Mats
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1565
• a: 13.877 ± 0.01 Å
• b: 20.404 ± 0.01 Å
• c: 7.706 ± 0.005 Å
• α: 90°
• β: 116.153 ± 0.014°
• γ: 90°
• Cell volume: 1959 ± 2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No