Information card for entry 7707771

Structure parameters

• Formula: C35 H37.5 Al O Si
• Calculated formula: C35 H37.5 Al O Si
• SMILES: c12c(c3c(cccc3)[Al]2([Si](C(C)(C)C)(c2ccccc2)c2ccccc2)[O]2CCCC2)cccc1.c1ccccc1
• 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: 10.039 ± 0.002 Å
• b: 13.899 ± 0.002 Å
• c: 22.275 ± 0.006 Å
• α: 104.494 ± 0.013°
• β: 94.867 ± 0.017°
• γ: 98.565 ± 0.013°
• Cell volume: 2951.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No