Information card for entry 2207987

Structure parameters

• Chemical name: Butyl 3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]-2-propenoate
• Formula: C24 H26 O6
• Calculated formula: C24 H26 O6
• SMILES: o1c(cc2cc(cc(OC)c12)/C=C/C(=O)OCCCC)c1cc(OC)c(OC)cc1
• Title of publication: Butyl 3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]-2-propenoate
• Authors of publication: Xue-Fei Yang; Xiao-Bing Wang; Ling-Yi Kong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o817 - o819
• a: 18.381 ± 0.005 Å
• b: 4.8068 ± 0.0013 Å
• c: 27.575 ± 0.007 Å
• α: 90°
• β: 103.655 ± 0.004°
• γ: 90°
• Cell volume: 2367.5 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1787
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes