Information card for entry 1566891

Structure parameters

• Formula: C159 H188 Al4 I8 N8
• Calculated formula: C159 H188 Al4 I8 N8
• Title of publication: Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules
• Authors of publication: Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 15.879 ± 0.01 Å
• b: 16.076 ± 0.018 Å
• c: 16.533 ± 0.011 Å
• α: 92.956 ± 0.013°
• β: 109.505 ± 0.018°
• γ: 102.27 ± 0.02°
• Cell volume: 3853 ± 6 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: 0.0806
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No