Information card for entry 1554518

Structure parameters

• Formula: C20 H18 O3
• Calculated formula: C20 H18 O3
• SMILES: c1ccccc1C(=C/C(=O)c1ccccc1)/C(=C(\C)O)C(=O)C
• Title of publication: Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds
• Authors of publication: Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 437
• a: 10.476 ± 0.011 Å
• b: 15.249 ± 0.018 Å
• c: 11.317 ± 0.013 Å
• α: 90°
• β: 116.28 ± 0.03°
• γ: 90°
• Cell volume: 1621 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No