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CIF Information Card
Information card for 7151774
7151773 << 7151774 >> 7151775Preview
|
Coordinates |
7151774.cif |
Structure parameters
| Formula | - C16 H22 O5 - |
| Calculated formula | - C16 H22 O5 - |
| 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 | 6.7923 ± 0.0007 Å |
| b | 11.6086 ± 0.0014 Å |
| c | 20.037 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1579.9 ± 0.3 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 ± 1 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.1093 |
| Residual factor for observed reflections | 0.0439 |
| Weighted residual factors for the observed reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for observed reflections | 0.785 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |