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Information card for entry 4122408
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Coordinates | 4122408.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | ccs17dec12 |
---|---|
Formula | C40 H84 Li4 N4 O6 |
Calculated formula | C40 H84 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]1CCCC1)C)(C(C)C)[Li]2[O]1CCCC1 |
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 | 10.214 ± 0.002 Å |
b | 13.715 ± 0.003 Å |
c | 34.474 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4829.3 ± 1.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0562 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1153 |
Weighted residual factors for all reflections included in the refinement | 0.123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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