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Information card for entry 2300059
Preview
| Coordinates | 2300059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 Cl2 N O2 |
|---|---|
| Calculated formula | C14 H11 Cl2 N O2 |
| SMILES | c1(ccccc1Nc1c(cccc1Cl)Cl)CC(=O)O |
| Title of publication | Structure determination of diclofenac in a diclofenac-containing chitosan matrix using conventional X-ray powder diffraction data |
| Authors of publication | Muangsin, Nongnuj; Prajuabsook, Malee; Chimsook, Pitiporn; Chantarasiri, Nuanphun; Siraleartmukul, Krisana; Chaichit, Narongsak; Hannongbua, Supot |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2004 |
| Journal volume | 37 |
| Journal issue | 2 |
| Pages of publication | 288 - 294 |
| a | 20.2906 ± 0.0004 Å |
| b | 6.9952 ± 0.0001 Å |
| c | 20.1137 ± 0.0004 Å |
| α | 90° |
| β | 109.663 ± 0.001° |
| γ | 90° |
| Cell volume | 2688.4 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.