Information card for entry 4514609

Structure parameters

• Formula: C17 H19 F3 N2 O4
• Calculated formula: C17 H19 F3 N2 O4
• SMILES: [O-]C(=O)c1c(Nc2cc(C(F)(F)F)ccc2)cccc1.OCC([NH3+])CO
• Title of publication: Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application
• Authors of publication: Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi
• Journal of publication: ACS Biomaterials Science & Engineering
• Year of publication: 2019
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 2180
• a: 6.55 ± 0.012 Å
• b: 8.043 ± 0.015 Å
• c: 16.75 ± 0.03 Å
• α: 86.878 ± 0.018°
• β: 89.257 ± 0.018°
• γ: 87.524 ± 0.018°
• Cell volume: 880 ± 3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No