Information card for entry 2200456

Structure parameters

• Common name: Diflunisal
• Formula: C14.5 H7 F2 O3
• Calculated formula: C14.5 H7 F2 O3
• Title of publication: Diflunisal‒hexane (4/1)
• Authors of publication: Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o604 - o606
• a: 34.826 ± 0.017 Å
• b: 3.7296 ± 0.0016 Å
• c: 20.703 ± 0.01 Å
• α: 90°
• β: 110.63 ± 0.05°
• γ: 90°
• Cell volume: 2517 ± 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: 0.1885
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes