Information card for entry 2234772

Structure parameters

• Chemical name: (<i>E</i>)-Methyl 2-benzyl-3-<i>o</i>-tolylacrylate
• Formula: C18 H18 O2
• Calculated formula: C18 H18 O2
• SMILES: Cc1ccccc1/C=C(C(=O)OC)\Cc1ccccc1
• Title of publication: (<i>E</i>)-Methyl 2-benzyl-3-<i>o</i>-tolylacrylate
• Authors of publication: Karthikeyan, S.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1273
• a: 7.6277 ± 0.0003 Å
• b: 16.2167 ± 0.0007 Å
• c: 11.799 ± 0.0005 Å
• α: 90°
• β: 92.419 ± 0.002°
• γ: 90°
• Cell volume: 1458.19 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes