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CIF Information Card
Information card for 7151805
7151804 << 7151805 >> 7151806Preview
|
Coordinates |
7151805.cif |
Structure parameters
| Formula | - C7 H6 Cl N5 - |
| Calculated formula | - C7 H6 Cl N5 - |
| 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 | 10.7905 ± 0.0004 Å |
| b | 7.483 ± 0.0003 Å |
| c | 11.7242 ± 0.0004 Å |
| α | 90° |
| β | 108.708 ± 0.002° |
| γ | 90° |
| Cell volume | 896.66 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0726 |
| Residual factor for observed reflections | 0.0547 |
| Weighted residual factors for the observed reflections | 0.1932 |
| Weighted residual factors for all reflections included in the refinement | 0.2112 |
| Goodness-of-fit parameter for observed reflections | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |