Information card for entry 7159908

Structure parameters

• Formula: C25 H16 O6
• Calculated formula: C25 H16 O6
• SMILES: o1c2ccccc2c(O)c(c1=O)C(c1c(O)c2c(oc1=O)cccc2)c1ccccc1
• Title of publication: Revisiting Biginelli-like reactions: solvent effects, mechanisms, biological applications and correction of several literature reports.
• Authors of publication: Beck, Pedro S.; Leitão, Arthur G; Santana, Yasmin B.; Correa, José R; Rodrigues, Carime V. S.; Machado, Daniel F. S.; Matos, Guilherme D. R.; Ramos, Luciana M.; Gatto, Claudia C.; Oliveira, Sarah C. C.; Andrade, Carlos K. Z.; Neto, Brenno A. D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 18
• Pages of publication: 3630 - 3651
• a: 7.965 ± 0.003 Å
• b: 12.839 ± 0.004 Å
• c: 18.595 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1901.6 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No