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CIF Information Card
Information card for 7101810
7101809 << 7101810 >> 7101811Preview
|
Coordinates |
7101810.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 | 13.179 ± 0.001 Å |
| b | 12.282 ± 0.001 Å |
| c | 12.063 ± 0.001 Å |
| α | 90° |
| β | 104.982 ± 0.001° |
| γ | 90° |
| Cell volume | 1886.2 ± 0.3 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/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0515 |
| Residual factor for observed reflections | 0.0411 |
| Weighted residual factors for the observed reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for observed reflections | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |