Information card for entry 4336423

Structure parameters

• Formula: C42 H40 B P
• Calculated formula: C42 H40 B P
• Title of publication: Peri-Substituted (Ace)Naphthylphosphinoboranes. (Frustrated) Lewis Pairs
• Authors of publication: Jens Beckmann; Emanuel Hupf; Enno Lork; Stefan Mebs
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11881 - 11888
• a: 8.568 ± 0.002 Å
• b: 20.405 ± 0.005 Å
• c: 19.616 ± 0.006 Å
• α: 90°
• β: 97.86 ± 0.01°
• γ: 90°
• Cell volume: 3397.2 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No