Information card for entry 4134884

Structure parameters

• Formula: C53 H81 Al K N O8 Si2
• Calculated formula: C53 H81 Al K N O8 Si2
• Title of publication: Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.
• Authors of publication: Koshino, Kota; Kinjo, Rei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 11.3322 ± 0.001 Å
• b: 15.847 ± 0.0014 Å
• c: 16.6312 ± 0.0015 Å
• α: 88.823 ± 0.002°
• β: 71.777 ± 0.002°
• γ: 73.126 ± 0.002°
• Cell volume: 2706.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1871
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No