Information card for entry 7129530

Structure parameters

• Formula: C18 H25 N0.25 O3
• Calculated formula: C17 H25 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: 10.3396 ± 0.0005 Å
• b: 10.1521 ± 0.0004 Å
• c: 15.164 ± 0.0008 Å
• α: 90°
• β: 90.266 ± 0.005°
• γ: 90°
• Cell volume: 1591.73 ± 0.13 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2269
• Residual factor for significantly intense reflections: 0.2227
• Weighted residual factors for significantly intense reflections: 0.6254
• Weighted residual factors for all reflections included in the refinement: 0.6288
• Goodness-of-fit parameter for all reflections included in the refinement: 3.359
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No