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Information card for entry 4514607
Preview
| Coordinates | 4514607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H100 F12 N8 O17 |
|---|---|
| Calculated formula | C96 H100 F12 N8 O17 |
| 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 | 26.469 ± 0.004 Å |
| b | 6.0807 ± 0.0008 Å |
| c | 28.774 ± 0.003 Å |
| α | 90° |
| β | 90.77 ± 0.009° |
| γ | 90° |
| Cell volume | 4630.8 ± 1 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.1143 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.1964 |
| Weighted residual factors for all reflections included in the refinement | 0.2252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219792 (current) | 2019-10-28 | cif/ Adding structures of 4514607 via cif-deposit CGI script. |
4514607.cif |
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Users of the data should acknowledge the original authors of the
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