Information card for entry 2218166

Structure parameters

• Common name: monoethylformononetin
• Chemical name: 7-Ethoxy-4'-methoxyisoflavone
• Formula: C18 H16 O4
• Calculated formula: C18 H16 O4
• SMILES: O(C)c1ccc(cc1)c1coc2c(c1=O)ccc(OCC)c2
• Title of publication: 7-Ethoxy-4'-methoxyisoflavone (monoethylformononetin)
• Authors of publication: Wang, Qiu-Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o893
• a: 6.234 ± 0.003 Å
• b: 10.257 ± 0.005 Å
• c: 12.159 ± 0.006 Å
• α: 80.837 ± 0.007°
• β: 87.728 ± 0.008°
• γ: 73.653 ± 0.007°
• Cell volume: 736.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes