Information card for entry 7707777

Structure parameters

• Formula: C21 H24 Al Br N2
• Calculated formula: C21 H24 Al Br N2
• SMILES: c12c(c3c(cccc3)[Al]2(Br)=C2N(C=CN2C(C)C)C(C)C)cccc1
• 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: 8.3702 ± 0.0002 Å
• b: 23.2949 ± 0.0006 Å
• c: 20.455 ± 0.0005 Å
• α: 90°
• β: 98.189 ± 0.001°
• γ: 90°
• Cell volume: 3947.71 ± 0.17 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No