Information card for entry 7129527

Structure parameters

• Formula: C18 H21 N O3
• Calculated formula: C18 H21 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: 6.5851 ± 0.0001 Å
• b: 10.4477 ± 0.0001 Å
• c: 21.375 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1470.58 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0278
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No