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Information card for entry 4109085
Preview
Coordinates | 4109085.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H46 Al Li N2 O |
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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 Å3 |
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 |
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