Information card for entry 2212200

Structure parameters

• Chemical name: (E)-3-(2-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
• Formula: C16 H13 N O4
• Calculated formula: C16 H13 N O4
• SMILES: c1(ccc(cc1)C(=O)/C=C/c1ccccc1OC)N(=O)=O
• Title of publication: (<i>E</i>)-3-(2-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
• Authors of publication: Ma, Ji-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o806 - o807
• a: 7.488 ± 0.0008 Å
• b: 12.1608 ± 0.0011 Å
• c: 30.347 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2763.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes