Information card for entry 2210893

Structure parameters

• Common name: 3,4-bis(4-fluorophenyl)-1,2,5-oxadiazole 2-oxide
• Formula: C14 H8 F2 N2 O2
• Calculated formula: C14 H8 F2 N2 O2
• Title of publication: 3,4-Bis(4-fluorophenyl)-1,2,5-oxadiazole 2-oxide
• Authors of publication: Christian Peifer; Mohammed Abadleh; Schollmeyer, Dieter; Stefan Laufer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4827 - o4828
• a: 17.797 ± 0.002 Å
• b: 10.3032 ± 0.0007 Å
• c: 14.2799 ± 0.0014 Å
• α: 90°
• β: 111.251 ± 0.01°
• γ: 90°
• Cell volume: 2440.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.1057
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes