Information card for entry 2228357

Structure parameters

• Chemical name: 2,3-Dibromo-1-(4-chlorophenyl)-3-(5-nitro-2-furyl)propan-1-one
• Formula: C13 H8 Br2 Cl N O4
• Calculated formula: C13 H8 Br2 Cl N O4
• Title of publication: 2,3-Dibromo-1-(4-chlorophenyl)-3-(5-nitro-2-furyl)propan-1-one
• Authors of publication: Fun, Hoong-Kun; Yeap, Chin Sing; Shetty, Shobhitha; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3220
• a: 8.4932 ± 0.0011 Å
• b: 9.4501 ± 0.0012 Å
• c: 10.5665 ± 0.0014 Å
• α: 92.731 ± 0.002°
• β: 107 ± 0.002°
• γ: 114.299 ± 0.002°
• Cell volume: 725.32 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes