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Information card for entry 2011099
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| Coordinates | 2011099.cif |
|---|---|
| Structure factors | 2011099.hkl |
| Original IUCr paper | HTML |
| Common name | verticine |
|---|---|
| Chemical name | cevane-3β,6α,20-triol ethanol hydrate |
| Formula | C56 H98 N2 O8 |
| Calculated formula | C56 H98 N2 O8 |
| SMILES | O[C@H]1CC[C@]2([C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2C[C@H]2[C@H]3[C@H](CC[C@@H]12)[C@](O)([C@H]1N(C3)C[C@H](CC1)C)C)C.OCC.O |
| Title of publication | Verticine ethanol hydrate (2/1/1) |
| Authors of publication | Zhang, Jin-Nan; Lin, Ge; Ho, Yee-Ping; Li, Ping; Chow, Albert H. L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 907 - 909 |
| a | 16.146 ± 0.003 Å |
| b | 8.66 ± 0.002 Å |
| c | 19.096 ± 0.004 Å |
| α | 90° |
| β | 93.74 ± 0.03° |
| γ | 90° |
| Cell volume | 2664.4 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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