Information card for entry 4081776

Structure parameters

• Formula: C43 H62 B Br3 N2 O2
• Calculated formula: C43 H62 B Br3 N2 O2
• Title of publication: N-Heterocyclic Olefin Stabilized Borenium Cations
• Authors of publication: Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Sexton, Daniel R.; Wei, Pingrong; Robinson, Gregory H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6639
• a: 10.7406 ± 0.0012 Å
• b: 15.0071 ± 0.0017 Å
• c: 16.4133 ± 0.0018 Å
• α: 64.03 ± 0.001°
• β: 89.49 ± 0.002°
• γ: 83.418 ± 0.002°
• Cell volume: 2360.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2048
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2271
• Weighted residual factors for all reflections included in the refinement: 0.2821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No