Information card for entry 7129620

Structure parameters

• Formula: C25 H20 N2 O2
• Calculated formula: C25 H20 N2 O2
• Title of publication: Synthesis of Pyranopyrazoles with a Chiral Quaternary Carbon Stereocenter via Copper-catalyzed Enantioselective [3+3] Cycloaddition
• Authors of publication: Wang, Meihui; Li, Bo; Gong, Baihui; Yao, Hequan; Lin, Aijun
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.8692 ± 0.0003 Å
• b: 10.1814 ± 0.0004 Å
• c: 19.2471 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1933.99 ± 0.12 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No