Information card for entry 7158763

Structure parameters

• Formula: C23 H19 Br O4
• Calculated formula: C23 H19 Br O4
• Title of publication: Cu-Catalyzed tandem cyclization and coupling of enynones with enaminones for multisubstituted furans & furano-pyrroles.
• Authors of publication: Dattatri, ?; Singam, Maneesh Kumar Reddy; Nanubolu, Jagadeesh Babu; Reddy, Maddi Sridhar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• a: 11.9543 ± 0.0016 Å
• b: 13.1009 ± 0.0016 Å
• c: 12.3965 ± 0.0014 Å
• α: 90°
• β: 98.422 ± 0.003°
• γ: 90°
• Cell volume: 1920.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No