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Information card for entry 7249736
Preview
| Coordinates | 7249736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Flu.D-BSA(6:6) |
|---|---|
| Formula | C13 H11 F3 N2 O5 S |
| Calculated formula | C13 H11 F3 N2 O5 S |
| Title of publication | Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity |
| Authors of publication | Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 7 |
| Pages of publication | 997 - 1015 |
| a | 7.4616 ± 0.0017 Å |
| b | 21.345 ± 0.004 Å |
| c | 27.575 ± 0.006 Å |
| α | 94.444 ± 0.005° |
| β | 93.278 ± 0.006° |
| γ | 94.635 ± 0.006° |
| Cell volume | 4355.4 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.096 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.1167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298210 (current) | 2025-03-04 | cif/ Updating files of 7249729, 7249730, 7249731, 7249732, 7249733, 7249734, 7249735, 7249736 Original log message: Adding full bibliography for 7249729--7249736.cif. |
7249736.cif |
| 297053 | 2025-01-04 | cif/ Adding structures of 7249729, 7249730, 7249731, 7249732, 7249733, 7249734, 7249735, 7249736 via cif-deposit CGI script. |
7249736.cif |
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Users of the data should acknowledge the original authors of the
structural data.