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Information card for entry 1573536
Preview
| Coordinates | 1573536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>RS</i>,14<i>SR</i>,15<i>SR</i>,16<i>RS</i>)-13-Acetoxy-16-benzyloxy-15-hydroxy-7-methoxymethoxy-3-oxo-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadecan-10-yl benzoate |
|---|---|
| Formula | C38 H48 O11 |
| Calculated formula | C38 H48 O11 |
| a | 9.8868 ± 0.0005 Å |
| b | 11.7682 ± 0.0005 Å |
| c | 14.6899 ± 0.0007 Å |
| α | 86.598 ± 0.002° |
| β | 85.322 ± 0.001° |
| γ | 89.188 ± 0.001° |
| Cell volume | 1700.4 ± 0.14 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0616 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296966 (current) | 2024-12-25 | cif/ Adding structures of 1573536, 1573537 via cif-deposit CGI script. |
1573536.cif |
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Users of the data should acknowledge the original authors of the
structural data.