Information card for entry 1569405

Structure parameters

• 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 ų
• 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