Information card for entry 7122930

Structure parameters

• Formula: C21 H22 N2 O
• Calculated formula: C21 H22 N2 O
• Title of publication: Silver-Catalyzed Decarboxylative Radical Cascade Cyclization toward Benzimidazo[2,1-a]isoquinolin-6(5H)-ones
• Authors of publication: Sun, Kai; Li, Shi-Jun; Chen, Xiaolan; Liu, Yan; Huang, Xianqiang; Wei, Donghui; Qu, Lingbo; Zhao, Yufen; Yu, Bing
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 16.5024 ± 0.0004 Å
• b: 11.142 ± 0.0002 Å
• c: 19.3013 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3548.93 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No