Information card for entry 7707770

Structure parameters

• Formula: C20 H21 Al O S
• Calculated formula: C20 H21 Al O S
• SMILES: c12[Al]([O](CC)CC)(c3c(c1cccc2)cccc3)c1sccc1
• 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: 7.1151 ± 0.0011 Å
• b: 15.212 ± 0.003 Å
• c: 16.066 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1738.9 ± 0.5 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No