Information card for entry 4106308

Structure parameters

• Formula: C26 H26 O4
• Calculated formula: C26 H26 O4
• SMILES: O(C(=O)c1ccc2oc3c(cc4[C@@H]5[C@H]([C@H]6[C@](C(=O)CC6)(C)CC5)CCc4c3)c2c1)C
• Title of publication: Synthesis of Dibenzofurans via Palladium-Catalyzed Phenol-Directed C-H Activation/C-O Cyclization
• Authors of publication: Bin Xiao; Tian-Jun Gong; Zhao-Jing Liu; Jing-Hui Liu; Dong-Fen Luo; Jun Xu; Lei Liu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9250 - 9253
• a: 6.9858 ± 0.0003 Å
• b: 13.2211 ± 0.0006 Å
• c: 22.1961 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2050.03 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No