Information card for entry 7160860

Structure parameters

• Formula: C15 H14 N2 O2
• Calculated formula: C15 H14 N2 O2
• Title of publication: A one-pot visible-light strategy for cyclobutanone synthesis <i>via</i> sequential [2 + 2] cycloaddition and Nef reaction of nitroalkenes and 2-vinylpyridines.
• Authors of publication: Chen, Yong-Shun; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Chien, Su-Ying
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• a: 8.1448 ± 0.0002 Å
• b: 17.0816 ± 0.0005 Å
• c: 9.2698 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1289.67 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No