Information card for entry 1554443

Structure parameters

• Formula: C30 H23 N O2
• Calculated formula: C30 H23 N O2
• SMILES: O(C(=O)C(c1nc2c(c3c4c(c5c(c13)cccc5)cccc4)ccc1c2cccc1)C)CC
• 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: 7.3192 ± 0.0006 Å
• b: 11.4476 ± 0.0007 Å
• c: 14.2878 ± 0.0011 Å
• α: 109.541 ± 0.006°
• β: 103.435 ± 0.007°
• γ: 90.85 ± 0.006°
• Cell volume: 1091.7 ± 0.15 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No