Information card for entry 7159608

Structure parameters

• Formula: C22 H16 O2
• Calculated formula: C22 H16 O2
• Title of publication: Synthesis of 3(2<i>H</i>)-furanone derivatives: <i>p</i>-TsOH/halotrimethylsilane promoted cycloketonization of <i>γ</i>-hydroxyl ynones.
• Authors of publication: Qiu, Yi-Feng; Cao, Jian-He; Wang, Shutao; Wang, Qiang; Li, Ming; Wang, Jun-Jiao; Quan, Zheng-Jun; Wang, Xi-Cun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 43
• Pages of publication: 8744 - 8748
• a: 11.4368 ± 0.0003 Å
• b: 6.67839 ± 0.00014 Å
• c: 22.2255 ± 0.0006 Å
• α: 90°
• β: 91.647 ± 0.002°
• γ: 90°
• Cell volume: 1696.87 ± 0.07 ų
• Cell temperature: 303.93 ± 0.1 K
• Ambient diffraction temperature: 303.93 ± 0.1 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: 0.0497
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No