Information card for entry 2229978

Structure parameters

• Chemical name: (<i>E</i>)-1-(5-Hydroxy-2,2-dimethyl-2<i>H</i>-chromen-6-yl)-3-(3,4,5- trimethoxyphenyl)prop-2-en-1-one
• Formula: C23 H24 O6
• Calculated formula: C23 H24 O6
• SMILES: COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(O3)(C)C)cc(c1OC)OC
• Title of publication: (<i>E</i>)-1-(5-Hydroxy-2,2-dimethyl-2<i>H</i>-chromen-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Wang, Guang-cheng; Yang, Ying-hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1265
• a: 9.947 ± 0.0009 Å
• b: 13.9419 ± 0.0013 Å
• c: 16.1187 ± 0.0011 Å
• α: 72.681 ± 0.007°
• β: 89.487 ± 0.007°
• γ: 73.173 ± 0.008°
• Cell volume: 2035.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes