Information card for entry 2013521

Structure parameters

• Chemical name: (E)-1-(2-hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene
• Formula: C18 H20 O5
• Calculated formula: C18 H20 O5
• SMILES: Oc1c(ccc(OC)c1)/C=C/c1cc(OC)c(OC)c(OC)c1
• Title of publication: (<i>E</i>)-1-(2-Hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene
• Authors of publication: Jianxing Zhang; Shou-Feng Chen; Kevin K. Klausmeyer; Robert R. Kane
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o381 - o382
• a: 11.6693 ± 0.0015 Å
• b: 7.979 ± 0.0008 Å
• c: 17.5818 ± 0.0013 Å
• α: 90°
• β: 90.673 ± 0.009°
• γ: 90°
• Cell volume: 1636.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections: 1.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes