Information card for entry 2239098

Structure parameters

• Common name: 2,4,4'-Triethyl acetateoxy chalcone
• Chemical name: Ethyl 2-[4-(2-{2,4-bis[(ethoxycarbonyl)methoxy]benzoyl}ethenyl)phenoxy]acetate
• Formula: C27 H30 O10
• Calculated formula: C27 H30 O10
• SMILES: CCOC(=O)COc1cc(OCC(=O)OCC)ccc1C(=O)/C=C/c1ccc(cc1)OCC(=O)OCC
• Title of publication: The chalcone ethyl 2-[4-(2-{2,4-bis[(ethoxycarbonyl)methoxy]benzoyl}ethenyl)phenoxy]acetate
• Authors of publication: Liu, Xiaofeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o51
• a: 7.8225 ± 0.0016 Å
• b: 13.579 ± 0.003 Å
• c: 13.78 ± 0.003 Å
• α: 63.004 ± 0.003°
• β: 87.157 ± 0.004°
• γ: 83.377 ± 0.004°
• Cell volume: 1295.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes