Information card for entry 2236099

Structure parameters

• Chemical name: 1-Ethoxy-2-methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene
• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: O(c1c(OC)cc(/C=C/c2ccc(N(=O)=O)cc2)cc1)CC
• Title of publication: 1-Ethoxy-2-methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene
• Authors of publication: Dinakaran, Paul M.; Kalainathan, S.; Srinivasan, T.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2774
• a: 8.5209 ± 0.0004 Å
• b: 7.5959 ± 0.0004 Å
• c: 23.7877 ± 0.0013 Å
• α: 90°
• β: 99.611 ± 0.003°
• γ: 90°
• Cell volume: 1518.02 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes