Information card for entry 4109087

Structure parameters

• Formula: C16 H35 Al Li N O
• Calculated formula: C16 H35 Al Li N O
• SMILES: [Al]1([N]2([Li]([O]3CCCC3)[CH3]1)C(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: 8.9858 ± 0.0018 Å
• b: 22.608 ± 0.005 Å
• c: 9.4897 ± 0.0019 Å
• α: 90°
• β: 102.64 ± 0.03°
• γ: 90°
• Cell volume: 1881.1 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No