Information card for entry 2228197

Structure parameters

• Common name: 2',3,4,4',5-pentamethoxychalcone
• Chemical name: 1-(2,4-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• SMILES: COc1ccc(c(c1)OC)C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC
• Title of publication: 2',3,4,4',5-Pentamethoxychalcone
• Authors of publication: van Tonder, Johannes H.; Muller, Theunis J.; Bezuidenhoudt, Barend C. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2889 - o2890
• a: 7.3041 ± 0.0002 Å
• b: 8.0288 ± 0.0003 Å
• c: 29.217 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1713.38 ± 0.1 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: 0.039
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes