Information card for entry 4076467

Structure parameters

• Formula: C26 H35 B N2
• Calculated formula: C26 H35 B N2
• SMILES: N1BNc2c1c(cc(c2)C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C2)C3
• Title of publication: Reactivity of Lewis Acid Activated Diaza- and Dithiaboroles in Electrophilic Arene Borylation
• Authors of publication: Solomon, S. A.; Del Grosso, A.; Clark, E. R.; Bagutski, V.; McDouall, J. J. W.; Ingleson, M. J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1908
• a: 31.816 ± 0.007 Å
• b: 7.2892 ± 0.0007 Å
• c: 23.376 ± 0.005 Å
• α: 90°
• β: 128.66 ± 0.03°
• γ: 90°
• Cell volume: 4233 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No