Information card for entry 2232034

Structure parameters

• Chemical name: (<i>Z</i>)-Methyl 3-(2,4-dichlorophenyl)-2-[(2-formylphenoxy)methyl]acrylate
• Formula: C18 H14 Cl2 O4
• Calculated formula: C18 H14 Cl2 O4
• SMILES: c1(ccccc1OCC(=C\c1c(cc(cc1)Cl)Cl)/C(=O)OC)C=O
• Title of publication: (<i>Z</i>)-Methyl 3-(2,4-dichlorophenyl)-2-[(2-formylphenoxy)methyl]acrylate
• Authors of publication: Gangadharan, Rajeswari; Sethusankar, K.; Selvakumar, Raman; Bakthadoss, Manickam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2738
• a: 17.8151 ± 0.0007 Å
• b: 4.987 ± 0.0002 Å
• c: 18.8418 ± 0.0008 Å
• α: 90°
• β: 97.834 ± 0.002°
• γ: 90°
• Cell volume: 1658.36 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes