Information card for entry 2227265

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Formula: C18 H18 O5
• Calculated formula: C18 H18 O5
• SMILES: Oc1cc(OC)cc(OC)c1C(=O)/C=C/c1ccc(OC)cc1
• Title of publication: (<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one from <i>Kaempferia rotunda</i> Val.
• Authors of publication: Sirat, Hasnah Mohd; Feng, Yau Sui; Hazni, Hazrina; Awang, Khalijah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2944
• a: 12.8502 ± 0.0008 Å
• b: 8.3226 ± 0.0005 Å
• c: 14.1865 ± 0.0009 Å
• α: 90°
• β: 97.765 ± 0.001°
• γ: 90°
• Cell volume: 1503.29 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes