Information card for entry 2224055

Structure parameters

• Chemical name: 1-Phenyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: COc1cc(c(c(c1)OC)/C=C/C(=O)c1ccccc1)OC
• Title of publication: 1-Phenyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Wu, Jianzhang; Zhang, Li; Wang, Jing; Yang, Shulin; Li, Xiaokun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2805
• a: 9.0052 ± 0.001 Å
• b: 14.9245 ± 0.0017 Å
• c: 11.7658 ± 0.0014 Å
• α: 90°
• β: 104.315 ± 0.002°
• γ: 90°
• Cell volume: 1532.2 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes