Information card for entry 2227455

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: O=C(/C=C/c1ccccc1)c1c(O)cc(OC)cc1OC
• Title of publication: Flavokavain B from the rhizome of <i>Alpinia mutica</i> Roxb
• Authors of publication: Sirat, Hasnah Mohd; Jani, Nor Akmalazura; 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: o2866
• a: 4.9668 ± 0.001 Å
• b: 12.305 ± 0.003 Å
• c: 22.552 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1378.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes