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Information card for entry 2000799
Preview
| Coordinates | 2000799.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (±)-cis-6-Acetylamino-5-hydroxy-1,3-dioxepane |
|---|---|
| Formula | C7 H13 N O4 |
| Calculated formula | C7 H13 N O4 |
| SMILES | C1OC[C@@H]([C@@H](CO1)O)NC(=O)C.C1OC[C@H]([C@H](CO1)O)NC(=O)C |
| Title of publication | (±)-<i>cis</i>-6-Acetylamino-5-hydroxy-1,3-dioxepane |
| Authors of publication | Vinković, M.; Dumić, M.; Kamenar, B. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 7 |
| Pages of publication | 1352 - 1354 |
| a | 8.767 ± 0.001 Å |
| b | 7.117 ± 0.002 Å |
| c | 7.26 ± 0.002 Å |
| α | 90° |
| β | 110.23 ± 0.02° |
| γ | 90° |
| Cell volume | 425.04 ± 0.18 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for all reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.041 |
| Goodness-of-fit parameter for all reflections | 0.7691 |
| Goodness-of-fit parameter for significantly intense reflections | 0.7693 |
| Diffraction radiation wavelength | 0.7101 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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