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Information card for entry 2200044
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| Coordinates | 2200044.cif |
|---|---|
| Structure factors | 2200044.hkl |
| Original IUCr paper | HTML |
| Common name | N,N'-diacetyl-1,13-diaza-24-crown-8 |
|---|---|
| Chemical name | N,N'-Diacetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracosane |
| Formula | C20 H38 N2 O8 |
| Calculated formula | C20 H38 N2 O8 |
| SMILES | CC(=O)N1CCOCCOCCOCCN(CCOCCOCCOCC1)C(=O)C |
| Title of publication | <i>N</i>,<i>N</i>'-Diacetyl-1,13-diaza-24-crown-8 |
| Authors of publication | Bryan, Jeffrey C.; Marchand, Alan P.; Hazlewood, Anna |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | o13 - o15 |
| a | 7.4145 ± 0.0012 Å |
| b | 8.145 ± 0.002 Å |
| c | 10.299 ± 0.003 Å |
| α | 98.95 ± 0.02° |
| β | 105.103 ± 0.018° |
| γ | 108.424 ± 0.017° |
| Cell volume | 550.2 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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