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Information card for entry 2010182
Preview
| Coordinates | 2010182.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H24 N2 O4 |
|---|---|
| Calculated formula | C12 H24 N2 O4 |
| SMILES | COC(=O)NC(CCC(NC(=O)OC)(C)C)(C)C |
| Title of publication | <i>N</i>,<i>N</i>'-Bis(methoxycarbonyl)-2,5-dimethylhexane-2,5-diamine |
| Authors of publication | Wong, W.-T. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 11 |
| Pages of publication | 1796 - 1798 |
| a | 9.265 ± 0.001 Å |
| b | 9.354 ± 0.001 Å |
| c | 17.399 ± 0.002 Å |
| α | 90° |
| β | 94.39 ± 0.01° |
| γ | 90° |
| Cell volume | 1503.5 ± 0.3 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.055 |
| Goodness-of-fit parameter for significantly intense reflections | 1.33 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.