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Information card for entry 4514606
Preview
| Coordinates | 4514606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H21 F3 N2 O2 |
|---|---|
| Calculated formula | C25 H21 F3 N2 O2 |
| Title of publication | Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application |
| Authors of publication | Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi |
| Journal of publication | ACS Biomaterials Science & Engineering |
| Year of publication | 2019 |
| Journal volume | 5 |
| Journal issue | 5 |
| Pages of publication | 2180 |
| a | 6.96 ± 0.004 Å |
| b | 10.566 ± 0.007 Å |
| c | 14.887 ± 0.009 Å |
| α | 82.157 ± 0.01° |
| β | 78.009 ± 0.008° |
| γ | 88.874 ± 0.008° |
| Cell volume | 1060.8 ± 1.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120.01 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 | 0.1097 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.1939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219791 (current) | 2019-10-28 | cif/ Adding structures of 4514606 via cif-deposit CGI script. |
4514606.cif |
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Users of the data should acknowledge the original authors of the
structural data.