Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7151808
7151807 << 7151808 >> 7151809Preview
|
Coordinates |
7151808.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 | 5.863 ± 0.0003 Å |
| c | 17.344 ± 0.0007 Å |
| α | 90° |
| β | 108.649 ± 0.003° |
| γ | 90° |
| Cell volume | 2857 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.04 |
| Residual factor for observed reflections | 0.0319 |
| Weighted residual factors for the observed reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for observed reflections | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |