Information card for entry 7159035

Structure parameters

• Formula: C20 H26 N2 O2
• Calculated formula: C20 H26 N2 O2
• Title of publication: Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.
• Authors of publication: Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 2
• Pages of publication: 375 - 385
• a: 5.8003 ± 0.0011 Å
• b: 5.8739 ± 0.0012 Å
• c: 14.924 ± 0.004 Å
• α: 89.862 ± 0.019°
• β: 86.02 ± 0.019°
• γ: 69.143 ± 0.014°
• Cell volume: 473.87 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No