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Information card for entry 2207033
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| Coordinates | 2207033.cif |
|---|---|
| Structure factors | 2207033.hkl |
| Original IUCr paper | HTML |
| Common name | 18-crown-6 ammoniate |
|---|---|
| Chemical name | 1,4,7,10,13,16-Hexaoxacyclooctadecane–ammonia (1/2) |
| Formula | C12 H30 N2 O6 |
| Calculated formula | C12 H30 N2 O6 |
| SMILES | O1CCOCCOCCOCCOCCOCC1.N.N |
| Title of publication | 1,4,7,10,13,16-Hexaoxacyclooctadecane–ammonia (1/2) |
| Authors of publication | Nuss, Hanne; Jansen, Martin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3142 - o3144 |
| a | 7.4789 ± 0.0014 Å |
| b | 7.6632 ± 0.0014 Å |
| c | 14.374 ± 0.003 Å |
| α | 90° |
| β | 91.754 ± 0.004° |
| γ | 90° |
| Cell volume | 823.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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