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Information card for entry 7123610
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| Coordinates | 7123610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | FuA_15 |
|---|---|
| Formula | C21 H38 F N3 O4 |
| Calculated formula | C21 H38 F N3 O4 |
| Title of publication | An Easy Access to Topical Gels of an Anti-cancer Prodrug (5-Flurouracil Acetic Acid) for Self-drug-delivery Applications |
| Authors of publication | Dastidar, Parthasarathi; Chakraborty, Poulami |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 4.7775 ± 0.0004 Å |
| b | 10.4402 ± 0.0009 Å |
| c | 45.66 ± 0.003 Å |
| α | 88.427 ± 0.003° |
| β | 88.793 ± 0.002° |
| γ | 88.556 ± 0.003° |
| Cell volume | 2275.4 ± 0.3 Å3 |
| Cell temperature | 106 ± 2 K |
| Ambient diffraction temperature | 105.94 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 | 0.1374 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.1538 |
| Weighted residual factors for all reflections included in the refinement | 0.1723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123610.cif |
| 215759 | 2019-06-08 | cif/ Adding structures of 7123605, 7123606, 7123607, 7123608, 7123609, 7123610 via cif-deposit CGI script. |
7123610.cif |
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Users of the data should acknowledge the original authors of the
structural data.