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Information card for entry 4122411
Preview
Coordinates | 4122411.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H88 Li4 N4 O6 |
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Calculated formula | C40 H88 Li4 N4 O6 |
SMILES | C1[C@H](C)[N]2(C(C)C)[Li]34[N]([C@H](C[O]4CCCC[O]4C[C@H](C)[N]5(C(C)C)[Li]64[N]([C@H](C[O]6CCCC[O]13)C)(C(C)C)[Li]5[O](CC)CC)C)(C(C)C)[Li]2[O](CC)CC |
Title of publication | Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol. |
Authors of publication | Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 33 |
Pages of publication | 11735 - 11747 |
a | 14.037 ± 0.005 Å |
b | 10.268 ± 0.004 Å |
c | 17.665 ± 0.006 Å |
α | 90° |
β | 105.542 ± 0.012° |
γ | 90° |
Cell volume | 2453 ± 1.5 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0591 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1163 |
Weighted residual factors for all reflections included in the refinement | 0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4122411.html
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