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CIF Information Card
Information card for 7151804
7151803 << 7151804 >> 7151805Preview
|
Coordinates |
7151804.cif |
Structure parameters
| Formula | - C14 H10 Cl2 N4 S - |
| Calculated formula | - C14 H10 Cl2 N4 S - |
| Title of publication | Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine. |
| Authors of publication | Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 3235 - 3245 |
| a | 29.6523 ± 0.001 Å |
| b | 17.5907 ± 0.001 Å |
| c | 17.344 ± 0.0007 Å |
| α | 90° |
| β | 108.649 ± 0.003° |
| γ | 90° |
| Cell volume | 8571.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.1132 |
| Residual factor for observed reflections | 0.0345 |
| Weighted residual factors for the observed reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1412 |
| Goodness-of-fit parameter for observed reflections | 0.947 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |