Information card for entry 2238893

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Formula: C19 H20 O6
• Calculated formula: C19 H20 O6
• SMILES: COc1cc(OC)c(c(c1)OC)/C=C/C(=O)c1c(O)cccc1OC
• Title of publication: (<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Koh, Dongsoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1809
• a: 7.2509 ± 0.0011 Å
• b: 15.67 ± 0.002 Å
• c: 14.529 ± 0.002 Å
• α: 90°
• β: 99.579 ± 0.003°
• γ: 90°
• Cell volume: 1627.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1382
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No