Information card for entry 2211485

Structure parameters

• Chemical name: 3-(3,5-Dimethoxyphenyl)-1-(3-nitrophenyl)-prop-2-enone
• Formula: C17 H15 N O5
• Calculated formula: C17 H15 N O5
• SMILES: O=N(=O)c1cccc(c1)C(=O)/C=C/c1cc(OC)cc(OC)c1
• Title of publication: 3-(3,5-Dimethoxyphenyl)-1-(3-nitrophenyl)prop-2-enone
• Authors of publication: Qiu, Xiao-Yang; Yang, Sen-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5939 - o5940
• a: 8.2658 ± 0.0003 Å
• b: 15.8334 ± 0.0004 Å
• c: 22.9084 ± 0.0007 Å
• α: 90°
• β: 90.747 ± 0.002°
• γ: 90°
• Cell volume: 2997.9 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1344
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes