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Information card for entry 2200603
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| Coordinates | 2200603.cif |
|---|---|
| Structure factors | 2200603.hkl |
| Original IUCr paper | HTML |
| Formula | C15 H26 O2 |
|---|---|
| Calculated formula | C15 H26 O2 |
| SMILES | O[C@]12[C@H](C=C(CC1)C)C(CCC[C@]2(O)C)(C)C |
| Title of publication | (1<i>R</i>,6<i>S</i>,7<i>R</i>)-Himachal-2-ène-6,7-diol |
| Authors of publication | El Jamili, H.; Auhmani, A.; Dakir, M.; Benharref, A.; Kossareva, E.; Pierrot, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | o904 - o905 |
| a | 5.9498 ± 0.0002 Å |
| b | 9.7014 ± 0.0004 Å |
| c | 24.7207 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1426.91 ± 0.09 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for all reflections included in the refinement | 0.1166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
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