Information card for entry 7210449

Structure parameters

• Formula: C15 H20 N3 Na O3 S
• Calculated formula: C15 H20 N3 Na O3 S
• SMILES: S(=O)([O-])(=NC(=O)NN1C[C@@H]2CCC[C@@H]2C1)c1ccc(cc1)C.[Na+]
• Title of publication: Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites.
• Authors of publication: Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 32
• Pages of publication: 13418 - 13433
• a: 15.4283 ± 0.001 Å
• b: 9.8446 ± 0.0003 Å
• c: 12.3063 ± 0.0007 Å
• α: 90°
• β: 109.738 ± 0.007°
• γ: 90°
• Cell volume: 1759.33 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0859
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No