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Information card for entry 4105047
Preview
Coordinates | 4105047.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H51 N O5 |
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Calculated formula | C24 H51 N O5 |
SMILES | C(CC)[N+](CCC)(CCC)CCC.C(CC)[N+](CCC)(CCC)CCC.CC(C)(C)[C@H](C(=O)O)[C@H](C(C)(C)C)C(=O)[O-].CC(C)(C)[C@@H](C(=O)O)[C@@H](C(C)(C)C)C(=O)[O-].O.O |
Title of publication | Asymmetry of the "Strongest" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate |
Authors of publication | Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 13548 - 13554 |
a | 19.615 ± 0.002 Å |
b | 16.4013 ± 0.0016 Å |
c | 17.4466 ± 0.0018 Å |
α | 90° |
β | 99.925 ± 0.002° |
γ | 90° |
Cell volume | 5528.8 ± 1 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1256 |
Residual factor for significantly intense reflections | 0.0649 |
Weighted residual factors for significantly intense reflections | 0.1627 |
Weighted residual factors for all reflections included in the refinement | 0.1958 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4105047.html
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Users of the data should acknowledge the original authors of the
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