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Information card for entry 2011052
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| Coordinates | 2011052.cif |
|---|---|
| Structure factors | 2011052.hkl |
| Original IUCr paper | HTML |
| Common name | Dysobinin |
|---|---|
| Chemical name | 6β-acetoxyazadirone |
| Formula | C30 H38 O6 |
| Calculated formula | C30 H38 O6 |
| SMILES | C1=CC(=O)C([C@@H]2[C@H]([C@H]([C@@]3([C@@H]([C@@]12C)CC[C@@]1(C3=CC[C@H]1c1cocc1)C)C)OC(=O)C)OC(=O)C)(C)C |
| Title of publication | Dysobinin, a tetranortriterpenoid |
| Authors of publication | Sarkhel, Sanjay; Jain, Girish K.; Singh, Satywan; Subramanya, Hosahalli. S.; Maulik, Prakas R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | e253 - e254 |
| a | 12.426 ± 0.003 Å |
| b | 29.446 ± 0.01 Å |
| c | 7.45 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2726 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.094 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.7093 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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