Information card for entry 7048184

Structure parameters

• Formula: C38.5 H33.5 B F12 N O
• Calculated formula: C38.5 H33.5 B F12 N O
• 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: 31.615 ± 0.003 Å
• b: 11.1961 ± 0.0009 Å
• c: 22.1924 ± 0.0018 Å
• α: 90°
• β: 118.058 ± 0.004°
• γ: 90°
• Cell volume: 6932.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No