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CIF Information Card
Information card for 7151755
7151754 << 7151755 >> 7151756Preview
|
Coordinates |
7151755.cif |
Structure parameters
| Formula | - C14 H18 N2 O4 S - |
| Calculated formula | - C14 H18 N2 O4 S - |
| Title of publication | Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles. |
| Authors of publication | Kissane, Marie; Murphy, Maureen; O'Brien, Elisabeth; Chopra, Jay; Murphy, Linda; Collins, Stuart G.; Lawrence, Simon E.; Maguire, Anita R. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 2452 - 2472 |
| a | 5.6949 ± 0.0016 Å |
| b | 9.6545 ± 0.0013 Å |
| c | 13.611 ± 0.002 Å |
| α | 73.2 ± 0.03° |
| β | 83.98 ± 0.04° |
| γ | 80.88 ± 0.04° |
| Cell volume | 706 ± 0.3 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0786 |
| Residual factor for observed reflections | 0.0683 |
| Weighted residual factors for the observed reflections | 0.175 |
| Weighted residual factors for all reflections included in the refinement | 0.1817 |
| Goodness-of-fit parameter for observed reflections | 1.132 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |