Information card for entry 7152287

Structure parameters

• Formula: C22 H22 O6
• Calculated formula: C22 H22 O6
• SMILES: O(c1ccccc1)/C=C(/C(=O)OCC)C#Cc1cc(OC)c(OC)c(OC)c1
• Title of publication: Gold-catalyzed efficient synthesis of 2,4-disubstituted furans from aryloxy-enynes.
• Authors of publication: Li, Ende; Yao, Wenjun; Xie, Xin; Wang, Chengyu; Shao, Yushang; Li, Yanzhong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 2960 - 2965
• a: 24.115 ± 0.003 Å
• b: 10.4602 ± 0.0011 Å
• c: 15.5022 ± 0.0017 Å
• α: 90°
• β: 95.746 ± 0.002°
• γ: 90°
• Cell volume: 3890.7 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No