Information card for entry 1554441

Structure parameters

• Formula: C28 H29 Co P S
• Calculated formula: C28 H29 Co P S
• SMILES: [Co]12345([P](c6ccccc6)(c6ccccc6)c6c(S1)cccc6)[c]1([c]2([c]4([c]3(C)[c]51C)C)C)C
• 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: 9.0319 ± 0.0004 Å
• b: 18.9034 ± 0.0009 Å
• c: 14.4632 ± 0.0007 Å
• α: 90°
• β: 96.64 ± 0.002°
• γ: 90°
• Cell volume: 2452.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No