Information card for entry 2234778

Structure parameters

• Chemical name: (<i>E</i>)-Methyl 2-({2-ethoxy-6-[(<i>E</i>)-(hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylate
• Formula: C20 H21 N O5
• Calculated formula: C20 H21 N O5
• SMILES: C(=N\O)/c1cccc(c1OCC(=C\c1ccccc1)/C(=O)OC)OCC
• Title of publication: (<i>E</i>)-Methyl 2-({2-ethoxy-6-[(<i>E</i>)-(hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylate
• Authors of publication: Govindan, E.; Ganesh, G.; Srinivasan, J.; Bakthadoss, M.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1373
• a: 7.4009 ± 0.0003 Å
• b: 22.1125 ± 0.001 Å
• c: 11.3681 ± 0.0005 Å
• α: 90°
• β: 103.561 ± 0.001°
• γ: 90°
• Cell volume: 1808.55 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes