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CIF Information Card
Information card for 7101811
7101810 << 7101811 >> 7101812Preview
|
Coordinates |
7101811.cif |
Structure parameters
| Formula | - C20 H36 O2 - |
| Calculated formula | - C20 H36 O2 - |
| Title of publication | Reversibility in the boron-mediated ketone-ketone aldol reaction. |
| Authors of publication | Cergol, Katie M; Jensen, Paul; Turner, Peter; Coster, Mark J |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 13 |
| Pages of publication | 1363 - 1365 |
| a | 11.9035 ± 0.0003 Å |
| b | 12.7978 ± 0.0004 Å |
| c | 24.8807 ± 0.0007 Å |
| α | 90° |
| β | 96.953 ± 0.001° |
| γ | 90° |
| Cell volume | 3762.4 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0819 |
| Residual factor for observed reflections | 0.0447 |
| Weighted residual factors for the observed reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for observed reflections | 1.242 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |