Information card for entry 1553938

Structure parameters

• Formula: C27 H23 N3 O
• Calculated formula: C27 H23 N3 O
• SMILES: c12ccccc1c1cccc3c1c([C@@](C(=O)N3C)(c1ccccc1)CC(C)(C)C#N)n2
• Title of publication: Construction of a 4H-pyrido[4,3,2-gh]phenanthridin-5(6H)-one skeleton via a catalyst-free radical cascade addition/cyclization using azo compounds as radical sources
• Authors of publication: Zhang, Chen; Pi, Junxia; Chen, Shu; Liu, Ping; Sun, Peipei
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 793
• a: 31.825 ± 0.009 Å
• b: 31.825 ± 0.009 Å
• c: 8.303 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8410 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No