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Information card for entry 1558329
Preview
| Coordinates | 1558329.cif |
|---|---|
| Structure factors | 1558329.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate |
|---|---|
| Formula | C23 H34 Cl3 N O12 |
| Calculated formula | C23 H34 Cl3 N O12 |
| Title of publication | Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate |
| Authors of publication | Amaro Hernández, Aldo Guillermo; Rodríguez Tzompantzi, Tomasa; Dávila García, Álvaro; Meza-León, Rosa Luisa; Bernès, Sylvain |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 6 |
| Pages of publication | x200788 |
| a | 5.5734 ± 0.0004 Å |
| b | 9.2537 ± 0.0009 Å |
| c | 14.2547 ± 0.0012 Å |
| α | 91.995 ± 0.007° |
| β | 99.103 ± 0.006° |
| γ | 95.567 ± 0.007° |
| Cell volume | 721.56 ± 0.11 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.56083 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253204 (current) | 2020-06-17 | cif/ hkl/ Adding structures of 1558329 via cif-deposit CGI script. |
1558329.cif 1558329.hkl |
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