Information card for entry 1564634

Structure parameters

• Formula: C28 H22 N2 O8
• Calculated formula: C28 H22 N2 O8
• SMILES: O=C([O-])c1ccc(O)c(/[NH+]=C/c2c(O)cccc2)c1.OC(=O)c1ccc(O)c(/[NH+]=C/c2c([O-])cccc2)c1
• Title of publication: Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities
• Authors of publication: Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119656
• a: 12.0325 ± 0.0004 Å
• b: 10.4098 ± 0.0004 Å
• c: 19.4563 ± 0.0007 Å
• α: 90°
• β: 103.904 ± 0.002°
• γ: 90°
• Cell volume: 2365.61 ± 0.15 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No