Information card for entry 7245190

Structure parameters

• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• Title of publication: Redox-neutral ketyl radical coupling/cyclization of carbonyls with N-aryl acrylamides through consecutive photoinduced electron transfer
• Authors of publication: Qu, Zhonghua; Tian, Tong; Tan, Yongbo; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 19
• Pages of publication: 7403 - 7409
• a: 7.8246 ± 0.0006 Å
• b: 9.2051 ± 0.0007 Å
• c: 10.7849 ± 0.0012 Å
• α: 94.614 ± 0.008°
• β: 101.272 ± 0.008°
• γ: 99.213 ± 0.007°
• Cell volume: 746.96 ± 0.12 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No