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CIF Information Card
Information card for 7101743
7101742 << 7101743 >> 7101744Preview
|
Coordinates |
7101743.cif |
Structure parameters
| Formula | - C15 H19 N O5 - |
| Calculated formula | - C15 H19 N O5 - |
| Title of publication | Highly stereoselective chlorination of beta-substituted cyclic alcohols using PPh3-NCS: factors that control the stereoselectivity. |
| Authors of publication | Jaseer, E A; Naidu, Ajay B; Kumar, Sreehari S; Rao, R Koteshwar; Thakur, Krishna G; Sekar, G |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 8 |
| Pages of publication | 867 - 869 |
| a | 7.2564 ± 0.0006 Å |
| b | 7.4017 ± 0.0005 Å |
| c | 15.5988 ± 0.0013 Å |
| α | 88.923 ± 0.005° |
| β | 85.403 ± 0.005° |
| γ | 62.334 ± 0.004° |
| Cell volume | 739.47 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0999 |
| Residual factor for observed reflections | 0.0826 |
| Weighted residual factors for the observed reflections | 0.2441 |
| Weighted residual factors for all reflections included in the refinement | 0.2637 |
| Goodness-of-fit parameter for observed reflections | 1.199 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |