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CIF Information Card
Information card for 7151731
7151730 << 7151731 >> 7151732Preview
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Coordinates |
7151731.cif |
Structure parameters
| Chemical name | (1S,2S,3S,4S)-1-(2?,2?,2?-trichloromethylcarbonylamino)-2,3,4- trihydroxycyclohexane ? |
| Formula | - C8 H12 Cl3 N O4 - |
| Calculated formula | - C8 H12 Cl3 N O4 - |
| Title of publication | Stereoselective synthesis of polyhydroxylated aminocyclohexanes. |
| Authors of publication | Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2801 - 2808 |
| a | 39.705 ± 0.002 Å |
| b | 5.8312 ± 0.0003 Å |
| c | 20.2162 ± 0.0014 Å |
| α | 90° |
| β | 91.296 ± 0.002° |
| γ | 90° |
| Cell volume | 4679.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2 1 |
| Hall symmetry space group | C 2y |
| Residual factor for all reflections | 0.1714 |
| Residual factor for observed reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for observed reflections | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |