Information card for entry 7159124

Structure parameters

• Formula: C36 H39.75 N2 O6.25
• Calculated formula: C36 H39.75 N2 O6.25
• 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: 10.664 ± 0.002 Å
• b: 34.087 ± 0.007 Å
• c: 8.888 ± 0.0018 Å
• α: 90°
• β: 94.83 ± 0.03°
• γ: 90°
• Cell volume: 3219.3 ± 1.1 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: 0.0647
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No