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Information card for entry 2006444
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| Coordinates | 2006444.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | anti-2,5-di(isopropyl)phenyldi(1-tricyclo[3.3.1.1^3,7^]decyl)methanol |
|---|---|
| Formula | C33 H48 O |
| Calculated formula | C33 H48 O |
| SMILES | OC(c1c(ccc(c1)C(C)C)C(C)C)(C12CC3CC(CC(C1)C3)C2)C12CC3CC(CC(C1)C3)C2 |
| Title of publication | A Highly Strained Tertiary Alcohol: <i>anti</i>-Di(1-adamantyl)[2,5-di(isopropyl)phenyl]methanol |
| Authors of publication | Vaissermann, Jacqueline; Lomas, John S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1341 - 1343 |
| a | 11.081 ± 0.003 Å |
| b | 15.147 ± 0.008 Å |
| c | 15.668 ± 0.008 Å |
| α | 90° |
| β | 96.14 ± 0.03° |
| γ | 90° |
| Cell volume | 2615 ± 2 Å3 |
| Cell temperature | 203 K |
| Ambient diffraction temperature | 203 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1414 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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