Information card for entry 4068227

Structure parameters

• Formula: C28 H37 B Cl F3 N2 O3 S
• Calculated formula: C28 H36 B Cl F3 N2 O3 S
• Title of publication: Reactions of Boron-Substituted N-Heterocyclic Carbene Boranes with Triflic Acid. Isolation of a New Dihydroxyborenium Cation
• Authors of publication: Solovyev, Andrey; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 54
• a: 17.23 ± 0.002 Å
• b: 18.2 ± 0.002 Å
• c: 9.9966 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3134.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2474
• Weighted residual factors for all reflections included in the refinement: 0.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No