Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 4114434
4114433 << 4114434 >> 4114435Preview
|
Coordinates |
4114434.cif |
Structure parameters
| Formula | - C18 H22 O2 S - |
| Calculated formula | - C18 H22 O2 S - |
| Title of publication | Cyclooctanoid Ring Systems from Mixed Acetals via Heteroatom-Assisted [1,2]-Shift of Oxonium Ylides |
| Authors of publication | Fredrik P. Marmsäter; Graham K. Murphy; F. G. West |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 14724 - 14725 |
| a | 17.001 ± 0.004 Å |
| b | 23.958 ± 0.005 Å |
| c | 7.6869 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3131 ± 1.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P c c n |
| Hall symmetry space group | -P 2ab 2ac |
| Residual factor for all reflections | 0.1321 |
| Residual factor for observed reflections | 0.0727 |
| Weighted residual factors for the observed reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1674 |
| Goodness-of-fit parameter for observed reflections | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |