Information card for entry 4109084

Structure parameters

• Formula: C25 H53 Al Li N O
• Calculated formula: C25 H53 Al Li N O
• SMILES: [Al]1([N]2(C(C)(CCCC2(C)C)C)[Li]([O]2CCCC2)[CH2]1C(C)C)(CC(C)C)CC(C)C
• Title of publication: An Aluminum Ate Base: Its Design, Structure, Function, and Reaction Mechanism
• Authors of publication: Hiroshi Naka; Masanobu Uchiyama; Yotaro Matsumoto; Andrew E. H. Wheatley; Mary McPartlin; James V. Morey; Yoshinori Kondo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1921 - 1930
• a: 11.572 ± 0.002 Å
• b: 12.151 ± 0.002 Å
• c: 19.709 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2771.3 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0731
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No