Information card for entry 2012420

Structure parameters

• Chemical name: 4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate
• Formula: C21 H20 O5
• Calculated formula: C21 H20 O5
• SMILES: c1(c(OC)cc(/C=C/C(=O)c2ccc(OC(=O)C(=C)C)cc2)cc1)OC
• Title of publication: 4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate and 4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate
• Authors of publication: Jeyabharathi, A.; Ponnuswamy, M. N.; Nanjundan, S.; Fun, Hoong-Kun; Suchada Chantrapromma; Usman, Anwar; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o26 - o28
• a: 13.381 ± 0.002 Å
• b: 20.813 ± 0.002 Å
• c: 13.881 ± 0.002 Å
• α: 90°
• β: 109.68 ± 0.01°
• γ: 90°
• Cell volume: 3640 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes