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Information card for entry 2200751
Preview
| Coordinates | 2200751.cif |
|---|---|
| Structure factors | 2200751.hkl |
| Original IUCr paper | HTML |
| Formula | C10 H18 N2 O4 |
|---|---|
| Calculated formula | C10 H18 N2 O4 |
| SMILES | N1(C(=O)CC)CN(C(=O)CC)CC(O)(O)C1 |
| Title of publication | 5,5-Dihydroxy-1,3-dipropionyl-1,3-diazacyclohexane |
| Authors of publication | Gilardi, Richard D.; Axenrod, Theodore; Sun, Jianguang; Flippen-Anderson, Judith L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 12 |
| Pages of publication | o1183 - o1184 |
| a | 24.2121 ± 0.0016 Å |
| b | 5.3063 ± 0.0004 Å |
| c | 19.7644 ± 0.0012 Å |
| α | 90° |
| β | 118.023 ± 0.001° |
| γ | 90° |
| Cell volume | 2241.6 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.1346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.237 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.