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Information card for entry 2200683
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| Coordinates | 2200683.cif |
|---|---|
| Structure factors | 2200683.hkl |
| Original IUCr paper | HTML |
| Formula | C31 H48 O4 |
|---|---|
| Calculated formula | C31 H48 O4 |
| SMILES | CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H]([C@H]2C)OC(=O)C)C)C)C |
| Title of publication | 3β-Acétoxy nor-31-lanostène-7,11-dione |
| Authors of publication | Daoubi, M.; Benharref, A.; Pierrot, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 12 |
| Pages of publication | o1187 - o1188 |
| a | 11.514 ± 0.0006 Å |
| b | 11.207 ± 0.0004 Å |
| c | 11.848 ± 0.0006 Å |
| α | 90° |
| β | 109.341 ± 0.002° |
| γ | 90° |
| Cell volume | 1442.55 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for all reflections included in the refinement | 0.1437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.