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Information card for entry 1569405
Preview
| Coordinates | 1569405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H38 F3 N2 O5 P |
|---|---|
| Calculated formula | C23 H38 F3 N2 O5 P |
| SMILES | [C@H](CNC(=O)C(F)(F)F)(c1ccccc1)ON([C@H](C(C)(C)C)P(=O)(OCC)OCC)C(C)(C)C.[C@@H](CNC(=O)C(F)(F)F)(c1ccccc1)ON([C@@H](C(C)(C)C)P(=O)(OCC)OCC)C(C)(C)C |
| Title of publication | Conditional generation of free radicals by selective activation of alkoxyamines: towards more effective and less toxic targeting of brain tumors. |
| Authors of publication | Piris, Patricia; Buric, Duje; Yamasaki, Toshihide; Huchedé, Paul; Rossi, Maïlys; Matteudi, Mélanie; Montero, Marie-Pierre; Rodallec, Anne; Appay, Romain; Roux, Christine; Combes, Sébastien; Pasquier, Eddy; Castets, Marie; André, Nicolas; Brémond, Paul; Carré, Manon |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 29 |
| Pages of publication | 7988 - 7998 |
| a | 9.6414 ± 0.0002 Å |
| b | 17.8695 ± 0.0003 Å |
| c | 16.8961 ± 0.0004 Å |
| α | 90° |
| β | 110.21° |
| γ | 90° |
| Cell volume | 2731.76 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1355 |
| Residual factor for significantly intense reflections | 0.0813 |
| Weighted residual factors for significantly intense reflections | 0.2216 |
| Weighted residual factors for all reflections included in the refinement | 0.272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286025 (current) | 2023-09-05 | cif/ Updating files of 1569404, 1569405 Original log message: Adding full bibliography for 1569404--1569405.cif. |
1569405.cif |
| 284721 | 2023-06-30 | cif/ Adding structures of 1569404, 1569405 via cif-deposit CGI script. |
1569405.cif |
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Users of the data should acknowledge the original authors of the
structural data.