Information card for entry 7158819

Structure parameters

• Formula: C26 H20 O4
• Calculated formula: C26 H20 O4
• SMILES: c12c(cccc1)C1(C(=C(C2=O)/C(=C(\C)O)C(=O)C)c2ccccc2)C=CC(=O)C=C1
• Title of publication: Copper(II)-Catalyzed Oxidative ipso-Annulation of N-Arylpropiolamides and Biaryl Ynones with 1,3-Diketones: Construction of Diketoalkyl Spiro-trienones
• Authors of publication: Chada, Raji Reddy; Kolgave, Dattahari H.; Ajaykumar, Uprety; Ramesh, Remya
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 18.8869 ± 0.0012 Å
• b: 12.5379 ± 0.0018 Å
• c: 9.037 ± 0.003 Å
• α: 90°
• β: 99.986 ± 0.005°
• γ: 90°
• Cell volume: 2107.6 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.127
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No