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Information card for entry 8101072
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| Coordinates | 8101072.cif |
|---|
| Formula | C16 H26 O3 |
|---|---|
| Calculated formula | C16 H26 O3 |
| SMILES | O[C@@H]1C(C2=CC[C@@H]([C@]([C@@H]2CC1)(C(=O)OC)C)C)(C)C.O[C@H]1C(C2=CC[C@H]([C@@]([C@H]2CC1)(C(=O)OC)C)C)(C)C |
| Title of publication | Crystal structure of carbomethoxy-6-hydroxy-1,2,5,5-tetramethyl-1, 2,3,5,6,7,8,8a-octahydronaphtalene, C~16~H~26~O~3~ |
| Authors of publication | Zukerman-Schpector, J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 4 |
| Pages of publication | 581 - 582 |
| a | 27.37 ± 0.002 Å |
| b | 6.446 ± 0.0009 Å |
| c | 18.66 ± 0.002 Å |
| α | 90° |
| β | 114.07 ± 0.01° |
| γ | 90° |
| Cell volume | 3005.9 ± 0.6 Å3 |
| Ambient diffraction temperature | 291 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1264 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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