Information card for entry 4109085

Structure parameters

• Formula: C25 H46 Al Li N2 O
• Calculated formula: C25 H46 Al Li N2 O
• SMILES: [Al]1([CH3][Li]([O]=C(N(C(C)C)C(C)C)c2ccccc2)[N]21C(C)(C)CCCC2(C)C)(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: 38.469 ± 0.008 Å
• b: 9.4325 ± 0.0019 Å
• c: 16.561 ± 0.003 Å
• α: 90°
• β: 114.18 ± 0.03°
• γ: 90°
• Cell volume: 5482 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No