Information card for entry 7159123

Structure parameters

• Formula: C22 H23 N O4
• Calculated formula: C22 H23 N O4
• SMILES: O1c2c(C(=O)C=C1c1cc3C(N(OC)C(c3cc1)(C)C)(C)C)c(O)ccc2
• Title of publication: Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.
• Authors of publication: Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 1780 - 1792
• a: 5.8355 ± 0.0002 Å
• b: 11.8125 ± 0.0005 Å
• c: 14.5365 ± 0.0006 Å
• α: 110.197 ± 0.004°
• β: 96.116 ± 0.003°
• γ: 91.402 ± 0.003°
• Cell volume: 933.05 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0634
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No