Information card for entry 7223184

Structure parameters

• Chemical name: Triflusal-BA cocrystal
• Formula: C17 H14 F3 N O5
• Calculated formula: C17 H14 F3 N O5
• Title of publication: Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization
• Authors of publication: Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 48
• Pages of publication: 9323
• a: 5.1765 ± 0.001 Å
• b: 15.228 ± 0.003 Å
• c: 21.041 ± 0.004 Å
• α: 90°
• β: 93.91 ± 0.03°
• γ: 90°
• Cell volume: 1654.8 ± 0.6 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 5
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No