Information card for entry 7159033

Structure parameters

• Formula: C32 H34 N2 O2
• Calculated formula: C32 H34 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: 22.51 ± 0.009 Å
• b: 9.475 ± 0.003 Å
• c: 6.564 ± 0.003 Å
• α: 90°
• β: 94.085 ± 0.006°
• γ: 90°
• Cell volume: 1396.4 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.1288
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2473
• Weighted residual factors for all reflections included in the refinement: 0.2806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No