Information card for entry 4134888

Structure parameters

• Formula: C41 H74 Al K N O8 Si3
• Calculated formula: C41 H75 Al K N O8 Si3
• 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: 13.286 ± 0.011 Å
• b: 13.384 ± 0.011 Å
• c: 14.255 ± 0.012 Å
• α: 93.101 ± 0.018°
• β: 97.062 ± 0.015°
• γ: 91.57 ± 0.03°
• Cell volume: 2510 ± 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: 0.1794
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No