Information card for entry 2232315

Structure parameters

• Chemical name: (<i>E</i>)-1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]-3- [3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one
• Formula: C22 H26 O9
• Calculated formula: C22 H26 O9
• SMILES: O(c1cc(O)c(c(OCOC)c1)C(=O)/C=C/c1ccc(OCOC)c(OC)c1)COC
• Title of publication: (<i>E</i>)-1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-[3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one
• Authors of publication: Chang, Liu-Shuan; Li, Chen-Yang; Zhao, Yan-Mei; Xu, Fang; Gu, Zheng-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2931
• a: 12.008 ± 0.003 Å
• b: 13.016 ± 0.004 Å
• c: 13.663 ± 0.004 Å
• α: 90°
• β: 97.154 ± 0.004°
• γ: 90°
• Cell volume: 2118.8 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes