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CIF Information Card
Information card for 7205785
7205784 << 7205785 >> 7205786Preview
|
Coordinates |
7205785.cif |
Structure parameters
| Formula | - C13 H10 N2 O4 S - |
| Calculated formula | - C13 H10 N2 O4 S - |
| Title of publication | Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity |
| Authors of publication | Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 2604 |
| a | 16.309 ± 0.004 Å |
| b | 6.7318 ± 0.0016 Å |
| c | 13.206 ± 0.006 Å |
| α | 90° |
| β | 121.757 ± 0.009° |
| γ | 90° |
| Cell volume | 1232.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/m 1 |
| Hall symmetry space group | -C 2y |
| Residual factor for all reflections | 0.1 |
| Residual factor for observed reflections | 0.0485 |
| Weighted residual factors for the observed reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for observed reflections | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |