Information card for entry 7159122

Structure parameters

• Formula: C21 H20 N O4
• Calculated formula: C21 H20 N O4
• 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: 6.873 ± 0.0014 Å
• b: 20.799 ± 0.004 Å
• c: 12.761 ± 0.003 Å
• α: 90°
• β: 104.29 ± 0.03°
• γ: 90°
• Cell volume: 1767.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0688
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No