Information card for entry 7021613

Structure parameters

• Formula: C8 H10 N2 O4
• Calculated formula: C8 H10 N2 O4
• SMILES: O=c1[nH]c(nc(c1O)C(=O)OCC)C
• Title of publication: A novel V(IV)O-pyrimidinone complex: synthesis, solution speciation and human serum protein binding.
• Authors of publication: Gonçalves, Gisela; Tomaz, Isabel; Correia, Isabel; Veiros, Luís F; Castro, M Margarida C A; Avecilla, Fernando; Palacio, Lorena; Maestro, Miguel; Kiss, Tamás; Jakusch, Tamás; Garcia, M Helena V; Pessoa, João Costa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 33
• Pages of publication: 11841 - 11861
• a: 26.412 ± 0.019 Å
• b: 4.442 ± 0.003 Å
• c: 15.994 ± 0.011 Å
• α: 90°
• β: 113.034 ± 0.012°
• γ: 90°
• Cell volume: 1727 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No