Information card for entry 7129528

Structure parameters

• Formula: C13 H15 N O3
• Calculated formula: C13 H15 N O3
• Title of publication: Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis
• Authors of publication: Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.15647 ± 0.00011 Å
• b: 11.03134 ± 0.00015 Å
• c: 20.7789 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2328.06 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No