Information card for entry 7039633

Structure parameters

• Formula: C23 H21 B F10 N2
• Calculated formula: C23 H21 B F10 N2
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[BH](=C1N([C@@H]2C([C@@](N1C)(C)CC2)(C)C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.
• Authors of publication: Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15303
• a: 11.8584 ± 0.001 Å
• b: 11.9181 ± 0.001 Å
• c: 16.5677 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2341.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No