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Information card for entry 2003681
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| Coordinates | 2003681.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C29 H32 O3 |
|---|---|
| Calculated formula | C29 H32 O3 |
| SMILES | Oc1cccc2c1cccc2.O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C |
| Title of publication | On the Isostructural Molecular Compound Formation of a Steroid with α- and β- Naphthols |
| Authors of publication | Böcskei, Z.; Simon, K.; Ambrus, G.; Ilköy, E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 1319 - 1322 |
| a | 19.158 ± 0.003 Å |
| b | 19.029 ± 0.003 Å |
| c | 6.377 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2324.8 ± 0.9 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.088 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Goodness-of-fit parameter for significantly intense reflections | 1.32 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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.