Information card for entry 2013320

Structure parameters

• Chemical name: 1-[2-Hydroxy-4-methoxyphenyl]-3-(2',3',4'-trimethoxyphenyl) prop-2-en-1-one
• Formula: C19 H20 O6
• Calculated formula: C19 H20 O6
• SMILES: O(c1ccc(/C=C/C(=O)c2c(O)cc(OC)cc2)c(OC)c1OC)C
• Title of publication: 1-(2-Hydroxy-4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: A. Subbiah Pandi; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; M. C. Bansal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o302 - o304
• a: 16.6025 ± 0.0006 Å
• b: 8.1908 ± 0.0002 Å
• c: 12.6432 ± 0.0005 Å
• α: 90°
• β: 92.303 ± 0.001°
• γ: 90°
• Cell volume: 1717.93 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1115
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes