10.18710/UQMMZE Sowiński, Mateusz P. Mateusz P. Sowiński https://orcid.org/0000-0002-7447-7050 UiT The Arctic University of Norway Gahlawat, Sahil Sahil Gahlawat UiT The Arctic University of Norway Lund, Bjarte A. Bjarte A. Lund https://orcid.org/0000-0001-9141-0555 UiT The Arctic University of Norway Warnke, Anna-Luisa Anna-Luisa Warnke UiT The Arctic University of Norway Hopmann, Kathrin H. Kathrin H. Hopmann https://orcid.org/0000-0003-2798-716X UiT The Arctic University of Norway Lovett, Janet E. Janet E. Lovett https://orcid.org/0000-0002-3561-450X SUPA, School of Physics and Astronomy and BSRC, University of St Andrews, North Haugh, St Andrews, KY16 9SS, UK Haugland, Marius M. Marius M. Haugland https://orcid.org/0000-0001-7017-344X UiT The Arctic University of Norway DataverseNO 2022 Chemistry Physics Nitroxides Radicals Ascorbate Electron paramagnetic resonance spectroscopy EPR (ESR) Reduction stability Nuclear magnetic resonance (NMR) High resolution mass spectrometry (HRMS) Infrafred spectroscopy (IR) Second-order kinetic rate constant Phase memory time (Tm) X-ray crystallography DFT Conformational analysis UiT The Arctic University of Norway UiT The Arctic University of Norway UiT The Arctic University of Norway Haugland, Marius M. Marius M. Haugland UiT The Arctic University of Norway 2022-10-21 2022-11-09 2023-09-28 2021-01-12/2022-09-30 experimental data 10.1038/S42004-023-00912-7 10.18710/UQMMZE/BG6ATI 10.18710/UQMMZE/XCOYYV 26313252 9164 26418234 27077191 application/zip text/plain application/zip application/zip 3.2 Creative Commons CC0 1.0 Universal Public Domain Dedication. Nitroxides are widely used as probes and polarization transfer agents in spectroscopy and imaging.These applications require high stability towards reducing biological environments, as well as beneficial relaxation properties. Closed spirocyclohexyl nitroxides exhibit a dramatically improved stability towards reduction by ascorbate, while maintaining long relaxation times in EPR spectroscopy. This dataset contains raw files and analysis reports of 1HNMR, 13CNMR, HRMS, FTIR of all compounds synthesized for and used in work: Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times. Moreover, for nitroxides raw files of X-band CW-EPR spectra, kinetic runs based on CW-EPR spectra and Q-band EPR relaxation measurements are included. Dataset is completed with X-ray crystallography CIF files and reports, as well as all optimized geometries for discussed conformers The MicroLab software, 4.5.93.0 Microsoft Excel MatLab enCIFer Tromsø Research Foundation 18_CANS The Research Council of Norway 300769 Sigma2 nn9330k Sigma2 nn4654k European Commission 859910 Biotechnology and Biological Sciences Research Council BB/T017740/1 Wellcome Trust 099149/Z/12/Z Royal Society RG120645 The Research Council of Norway 262695 The Research Council of Norway 274858