Information card for entry 1554442

Structure parameters

• Formula: C22 H18 N O2
• Calculated formula: C22 H18 N O2
• Title of publication: Cobalt-catalyzed radical cyclization of isocyanides forming phenanthridine derivatives
• Authors of publication: Liu, Xiangyu; Wu, Chengjuan; Zhang, Jing; Shi, Yihan; Zhang, Shengnan; Geng, Yan; Tung, Chen-Ho; Wang, Wenguang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 20
• Pages of publication: 2997
• a: 12.766 ± 0.0003 Å
• b: 7.3952 ± 0.0002 Å
• c: 18.2702 ± 0.0004 Å
• α: 90°
• β: 103.067 ± 0.002°
• γ: 90°
• Cell volume: 1680.17 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No