Information card for entry 4514605

Structure parameters

• Formula: C27 H27 F3 N4 O3
• Calculated formula: C27 H27 F3 N4 O3
• 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: 54.69 ± 0.03 Å
• b: 5.385 ± 0.003 Å
• c: 17.156 ± 0.009 Å
• α: 90°
• β: 102.882 ± 0.007°
• γ: 90°
• Cell volume: 4925 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.01 K
• Number of distinct elements: 5
• 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: 0.1108
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No