Information card for entry 1554517

Structure parameters

• Formula: C19 H16 O2
• Calculated formula: C19 H16 O2
• SMILES: Cc1ccc(cc1)c1oc(c(c1)c1ccccc1)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: 23.63 ± 0.002 Å
• b: 42.848 ± 0.004 Å
• c: 5.8546 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5927.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No