Information card for entry 2225066

Structure parameters

• Chemical name: (<i>E</i>)-3-(9-Anthryl)-1-(4-fluorophenyl)-2-(4-nitro-1<i>H</i>-imidazol- 1-yl)prop-2-en-1-one
• Formula: C26 H16 F N3 O3
• Calculated formula: C26 H16 F N3 O3
• SMILES: Fc1ccc(C(=O)C(=C\c2c3c(cc4c2cccc4)cccc3)/n2cc(nc2)N(=O)=O)cc1
• Title of publication: (<i>E</i>)-3-(9-Anthryl)-1-(4-fluorophenyl)-2-(4-nitro-1<i>H</i>-imidazol-1-yl)prop-2-en-1-one
• Authors of publication: Wang, Xiao-Ling; Wang, Guang-Zhou; Geng, Rong-Xia; Zhou, Cheng-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o320
• a: 9.3362 ± 0.0006 Å
• b: 10.9587 ± 0.0006 Å
• c: 11.6018 ± 0.0005 Å
• α: 70.371 ± 0.005°
• β: 88.062 ± 0.004°
• γ: 66.781 ± 0.006°
• Cell volume: 1020.78 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes