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Information card for entry 2003347
Preview
| Coordinates | 2003347.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C21 H28 N2 O2 |
|---|---|
| Calculated formula | C21 H28 N2 O2 |
| SMILES | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCc1c2non1 |
| Title of publication | Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer) |
| Authors of publication | Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 4 |
| Pages of publication | 666 - 670 |
| a | 15.034 ± 0.002 Å |
| b | 15.034 ± 0.002 Å |
| c | 7.187 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1406.8 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.052 |
| 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
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