Information card for entry 7119632

Structure parameters

• Formula: C20 H16 O2
• Calculated formula: C20 H16 O2
• SMILES: o1c(C)c2C(=O)c3ccccc3CCc2c1c1ccccc1
• 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: 5.5202 ± 0.0009 Å
• b: 22.281 ± 0.004 Å
• c: 11.6371 ± 0.0019 Å
• α: 90°
• β: 90.287 ± 0.003°
• γ: 90°
• Cell volume: 1431.3 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0417
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No