Information card for entry 2219282

Structure parameters

• Common name: 2'-hydroxi-2,3,4-trimethoxychalcone
• Chemical name: (<i>E</i>)-3-(2,3-Dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
• Formula: C18 H18 O5
• Calculated formula: C18 H18 O5
• SMILES: C(=O)(/C=C/c1c(OC)c(OC)ccc1)c1ccc(OC)cc1O
• Title of publication: (<i>E</i>)-3-(2,3-Dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Escobar, Carlos A.; Vega, Andrés; Sicker, Dieter; Ibañez, Andrés
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1834
• a: 4.8793 ± 0.0005 Å
• b: 24.283 ± 0.003 Å
• c: 13.077 ± 0.0014 Å
• α: 90°
• β: 97.044 ± 0.002°
• γ: 90°
• Cell volume: 1537.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1312
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes