Information card for entry 1564633

Structure parameters

• Formula: C12 H13 N O4
• Calculated formula: C12 H13 N O4
• SMILES: OC(=O)c1ccc(O)c(N/C(C)=C\C(=O)C)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: 4.8639 ± 0.0003 Å
• b: 16.5889 ± 0.0012 Å
• c: 13.7485 ± 0.0008 Å
• α: 90°
• β: 97.091 ± 0.003°
• γ: 90°
• Cell volume: 1100.84 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No