Information card for entry 7707780

Structure parameters

• Formula: C32 H39 Al Br N
• Calculated formula: C32 H39 Al Br N
• SMILES: [Al]1(Br)(c2c(c3ccccc13)cccc2)=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 10.4798 ± 0.0012 Å
• b: 15.3785 ± 0.0017 Å
• c: 17.51 ± 0.002 Å
• α: 90°
• β: 90.889 ± 0.002°
• γ: 90°
• Cell volume: 2821.6 ± 0.6 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No