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Information card for entry 1100179
Preview
| Coordinates | 1100179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3,4-Diphenylhexan-2-ol |
|---|---|
| Formula | C18 H22 O |
| Calculated formula | C18 H22 O |
| SMILES | O[C@H]([C@H](c1ccccc1)[C@H](c1ccccc1)CC)C |
| Title of publication | Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules |
| Authors of publication | Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2000 |
| Journal volume | 122 |
| Journal issue | 41 |
| Pages of publication | 10218 - 10219 |
| a | 23.056 ± 0.001 Å |
| b | 23.056 ± 0.001 Å |
| c | 7.325 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3372.15 Å3 |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 3 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for significantly intense reflections | 3.05 |
| Weighted residual factors for significantly intense reflections | 3.05 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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