Information card for entry 7707775

Structure parameters

• Formula: C61 H79 Al2 B2 Br2 N2 O2
• Calculated formula: C61 H79 Al2 B2 Br2 N2 O2
• Title of publication: Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.
• Authors of publication: Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 30
• Pages of publication: 10400 - 10404
• a: 15.9465 ± 0.0006 Å
• b: 17.2519 ± 0.0007 Å
• c: 21.7463 ± 0.0009 Å
• α: 90°
• β: 102.646 ± 0.002°
• γ: 90°
• Cell volume: 5837.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No