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Information card for entry 2003726
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| Coordinates | 2003726.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C20 H26 O3 |
|---|---|
| Calculated formula | C20 H26 O3 |
| SMILES | O=C1CC[C@H]2[C@@]1(C)CC=C1[C@@H]2CCC2=C1CCC1(C2)OCCO1 |
| Title of publication | Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). III. 3,3-Ethylenedioxy-5(10),9(11)-estradien-17-one |
| Authors of publication | Bidyasagar, M.; Ravikumar, K.; Rama Rao, A. V.; Sarma, B. V. N. B. S.; Singh, A. K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 1327 - 1330 |
| a | 7.572 ± 0.001 Å |
| b | 13.25 ± 0.002 Å |
| c | 17.376 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1743.3 ± 0.4 Å3 |
| Cell temperature | 293 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 | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.049 |
| Goodness-of-fit parameter for significantly intense reflections | 1.088 |
| Diffraction radiation wavelength | 0.71069 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.