Information card for entry 7150654

Structure parameters

• Common name: 3-arylbenzofuran
• Formula: C38 H34 O12
• Calculated formula: C38 H34 O12
• SMILES: c1(c(c2c(cc(cc2o1)OC)C(=O)OC)c1cc(cc(c1)OC)OC)c1c(c2c(cc(cc2o1)OC)C(=O)OC)c1cc(cc(c1)OC)OC
• Title of publication: A versatile approach to oligostilbenoid natural products ‒ synthesis of permethylated analogues of viniferifuran, malibatol A, and shoreaphenol
• Authors of publication: Kim, Ikyon; Choi, Jihyun
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 2788 - 2795
• a: 7.5867 ± 0.0001 Å
• b: 7.9569 ± 0.0001 Å
• c: 14.3677 ± 0.0002 Å
• α: 79.655 ± 0.001°
• β: 81.41 ± 0.001°
• γ: 81.762 ± 0.001°
• Cell volume: 837.59 ± 0.02 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: 0.0679
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1141
• 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: No