Information card for entry 2227998

Structure parameters

• Chemical name: 4-[2,3-Dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2- ium-5-olate
• Formula: C17 H11 Br3 N2 O3
• Calculated formula: C17 H11 Br3 N2 O3
• Title of publication: 4-[2,3-Dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate
• Authors of publication: Fun, Hoong-Kun; Shahani, Tara; Nithinchandra; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2818 - o2819
• a: 17.6996 ± 0.0003 Å
• b: 5.8322 ± 0.0001 Å
• c: 18.2445 ± 0.0003 Å
• α: 90°
• β: 105.973 ± 0.001°
• γ: 90°
• Cell volume: 1810.62 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes