Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7205788
7205787 << 7205788 >> 7205789Preview
|
Coordinates |
7205788.cif |
Structure parameters
| Formula | - C15 H7 N O3 S - |
| Calculated formula | - C15 H7 N O3 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 | 7.2392 ± 0.0011 Å |
| b | 7.256 ± 0.002 Å |
| c | 12.9183 ± 0.0016 Å |
| α | 73.904 ± 0.017° |
| β | 77.067 ± 0.011° |
| γ | 70.673 ± 0.018° |
| Cell volume | 608.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1438 |
| Residual factor for observed reflections | 0.064 |
| Weighted residual factors for the observed reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for observed reflections | 0.92 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |