Information card for entry 7118845

Structure parameters

• Formula: C20 H26 B2 F2
• Calculated formula: C20 H26 B2 F2
• SMILES: FB(F)B(c1c(c(cc(c1C)C)C)C)c1c(c(cc(c1C)C)C)C
• Title of publication: New outcomes of Lewis base addition to diboranes(4): electronic effects override strong steric disincentives.
• Authors of publication: Arnold, Nicole; Braunschweig, Holger; Damme, Alexander; Dewhurst, Rian D.; Pentecost, Leanne; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Thiess, Torsten; Trumpp, Alexandra; Vargas, Alfredo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 27
• Pages of publication: 4898 - 4901
• a: 9.024 ± 0.003 Å
• b: 15.783 ± 0.008 Å
• c: 12.907 ± 0.005 Å
• α: 90°
• β: 96.65 ± 0.02°
• γ: 90°
• Cell volume: 1825.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No