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Information card for entry 1557483
Preview
| Coordinates | 1557483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H34 Cl2 N4 O4 |
|---|---|
| Calculated formula | C35 H34 Cl2 N4 O4 |
| Title of publication | Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid |
| Authors of publication | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla |
| Journal of publication | IUCrJ |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | 173 - 183 |
| a | 10.8864 ± 0.0007 Å |
| b | 12.2705 ± 0.0007 Å |
| c | 13.7811 ± 0.001 Å |
| α | 106.966 ± 0.006° |
| β | 105.782 ± 0.006° |
| γ | 103.324 ± 0.005° |
| Cell volume | 1595.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.106 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.1831 |
| Weighted residual factors for all reflections included in the refinement | 0.2038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249077 (current) | 2020-03-05 | cif/ Adding structures of 1557481, 1557482, 1557483, 1557484, 1557485, 1557486, 1557487, 1557488 via cif-deposit CGI script. |
1557483.cif |
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Users of the data should acknowledge the original authors of the
structural data.