Information card for entry 2232506

Structure parameters

• Chemical name: (<i>E</i>)-Ethyl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate
• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• SMILES: O(c1c(ccc(OC)c1)/C=C(C(=O)OCC)\C#N)C
• Title of publication: (<i>E</i>)-Ethyl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate
• Authors of publication: Abdelhamid, Antar A.; Mohamed, Shaaban K.; Khalilov, Ali N.; Gurbanov, Atash V.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2830
• a: 10.5661 ± 0.0006 Å
• b: 6.9715 ± 0.0004 Å
• c: 18.4141 ± 0.001 Å
• α: 90°
• β: 101.858 ± 0.001°
• γ: 90°
• Cell volume: 1327.47 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes