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Information card for entry 2205213
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| Coordinates | 2205213.cif |
|---|---|
| Structure factors | 2205213.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3β-Taraxerol |
|---|---|
| Formula | C30 H50 O |
| Calculated formula | C30 H50 O |
| SMILES | O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]5CC(CC[C@@]5(CC=C4[C@@]3(CC[C@H]2C1(C)C)C)C)(C)C)C)C |
| Title of publication | 3β-Taraxerol from <i>Bridelia micrantha</i> |
| Authors of publication | Kouam, Simeon F.; Flörke, Ulrich; Krohn, Karsten; Akhtar, M. Nadeem; Ngadjui, Bonaventure T.; Abegaz, Berhanu M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 3 |
| Pages of publication | o599 - o600 |
| a | 13.4048 ± 0.0011 Å |
| b | 6.1275 ± 0.0004 Å |
| c | 30.239 ± 0.002 Å |
| α | 90° |
| β | 94.81 ± 0.003° |
| γ | 90° |
| Cell volume | 2475 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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