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Information card for entry 2008143
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| Coordinates | 2008143.cif |
|---|---|
| Structure factors | 2008143.hkl |
| Original IUCr paper | HTML |
| Common name | Taraxerone |
|---|---|
| Chemical name | Taraxerone |
| Formula | C30 H48 O |
| Calculated formula | C30 H48 O |
| SMILES | O=C1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@@]1([C@H]2CC(CC1)(C)C)C)C)C)C |
| Title of publication | Taraxerone |
| Authors of publication | Parvez, Masood; Gul, Waseem; Yousaf, Mohammad; Choudhary, M. Iqbal; Atta-ur-Rahman; Khan, M. Riaz |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 213 - 215 |
| a | 6.229 ± 0.002 Å |
| b | 7.3544 ± 0.0007 Å |
| c | 15.137 ± 0.003 Å |
| α | 90.8 ± 0.01° |
| β | 97.34 ± 0.02° |
| γ | 113.63 ± 0.01° |
| Cell volume | 628.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 1 K |
| Ambient diffraction temperature | 293 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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