Information card for entry 7160859

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: 8.0774 ± 0.0003 Å
• b: 17.0357 ± 0.0006 Å
• c: 9.2209 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1268.83 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No