Information card for entry 2226508

Structure parameters

• Common name: 2',3,4,4'-Tetramethoxychalcone
• Chemical name: 1-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: c1(cc(ccc1C(=O)/C=C/c1cc(c(cc1)OC)OC)OC)OC
• Title of publication: 2',3,4,4'-Tetramethoxychalcone
• 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: 7
• Pages of publication: o1798 - o1799
• a: 12.5839 ± 0.0007 Å
• b: 11.7204 ± 0.0007 Å
• c: 12.1339 ± 0.0006 Å
• α: 90°
• β: 109.489 ± 0.002°
• γ: 90°
• Cell volume: 1687.07 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes