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Information card for entry 2010627
Preview
| Coordinates | 2010627.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C21 H20 O8 |
|---|---|
| Calculated formula | C21 H20 O8 |
| SMILES | c12[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@]3(O)C(=O)OC[C@@H]3Cc1cc1OCOc1c2 |
| Title of publication | 2β-Hydroxy-4'-demethyldesoxypodophyllotoxin |
| Authors of publication | Du Boulay, Douglas; Shaari, Khozirah; Skelton, Brian W.; Waterman, Peter G.; White, Allan H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 199 - 200 |
| a | 7.854 ± 0.001 Å |
| b | 9.384 ± 0.001 Å |
| c | 13.23 ± 0.002 Å |
| α | 101.563 ± 0.002° |
| β | 103.699 ± 0.002° |
| γ | 90.184 ± 0.002° |
| Cell volume | 926.8 ± 0.2 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.044 |
| Goodness-of-fit parameter for all reflections | 1.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.