Information card for entry 7048182

Structure parameters

• Formula: C49.88 H34.76 B Cl1.75 F12 N P
• Calculated formula: C49.877 H34.754 B Cl1.754 F12 N P
• Title of publication: Design considerations for chiral frustrated Lewis pairs: B/N FLPs derived from 3,5-bicyclic aryl piperidines.
• Authors of publication: Lam, Jolie; Sampaolesi, Susanna; LaFortune, James H. W.; Coe, Jotham W.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 133 - 141
• a: 10.7711 ± 0.0019 Å
• b: 13.445 ± 0.003 Å
• c: 16.358 ± 0.003 Å
• α: 74.367 ± 0.006°
• β: 82.069 ± 0.007°
• γ: 81.633 ± 0.006°
• Cell volume: 2244.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No