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CIF Information Card
Information card for 4107190
4107189 << 4107190 >> 4107191Preview
|
Coordinates |
4107190.cif |
Structure parameters
| Formula | - C27 H39 N O4 S Si - |
| Calculated formula | - C27 H39 N O4 S Si - |
| Title of publication | Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer |
| Authors of publication | Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 19844 - 19856 |
| a | 14.3818 ± 0.0006 Å |
| b | 6.4515 ± 0.0003 Å |
| c | 15.0178 ± 0.0006 Å |
| α | 90° |
| β | 103.037 ± 0.002° |
| γ | 90° |
| Cell volume | 1357.5 ± 0.1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.075 |
| Residual factor for observed reflections | 0.0711 |
| Weighted residual factors for the observed reflections | 0.1743 |
| Weighted residual factors for all reflections included in the refinement | 0.19 |
| Goodness-of-fit parameter for observed reflections | 1.089 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |