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CIF Information Card
Information card for 7151776
7151775 << 7151776 >> 7151777Preview
|
Coordinates |
7151776.cif |
Structure parameters
| Formula | - C16 H22 O4 - |
| Calculated formula | - C16 H22 O4 - |
| Title of publication | Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones. |
| Authors of publication | Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 2543 - 2547 |
| a | 17.9518 ± 0.0003 Å |
| b | 8.62335 ± 0.00015 Å |
| c | 9.25071 ± 0.00015 Å |
| α | 90° |
| β | 96.1609 ± 0.0015° |
| γ | 90° |
| Cell volume | 1423.78 ± 0.04 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | C 1 2 1 |
| Hall symmetry space group | C 2y |
| Residual factor for all reflections | 0.0298 |
| Residual factor for observed reflections | 0.0293 |
| Weighted residual factors for the observed reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for observed reflections | 1.078 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |