Information card for entry 7119631

Structure parameters

• Formula: C23 H16 O2
• Calculated formula: C23 H16 O2
• SMILES: o1c(c2ccc3c(cccc3)c2)c2c(c1C)C(=O)c1c(C2)cccc1
• Title of publication: Gold-catalyzed ring-expansion through acyl migration to afford furan-fused polycyclic compounds.
• Authors of publication: Zhang, Changyuan; Jiang, Huanfeng; Zhu, Shifa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 2677 - 2680
• a: 5.58064 ± 0.00008 Å
• b: 21.634 ± 0.0003 Å
• c: 13.33275 ± 0.00019 Å
• α: 90°
• β: 101.869 ± 0.0014°
• γ: 90°
• Cell volume: 1575.27 ± 0.04 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No