Information card for entry 1553767

Structure parameters

• Formula: C26 H20 F3 N O
• Calculated formula: C26 H20 F3 N O
• SMILES: FC(F)(F)c1cc2C3=C(c4c(CC3(C(=O)N(c2cc1)C)C)cccc4)c1ccccc1
• Title of publication: Radical cyclization of benzene-tethered 1,7-enynes with aryldiazonium tetrafluoroborates: a facile route to benzo[j]phenanthridines
• Authors of publication: An, Yuanyuan; Zhang, Jun; Xia, Hongguang; Wu, Jie
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 1318
• a: 9.3089 ± 0.0019 Å
• b: 10.692 ± 0.002 Å
• c: 10.826 ± 0.002 Å
• α: 98.78 ± 0.004°
• β: 90.325 ± 0.004°
• γ: 108.111 ± 0.004°
• Cell volume: 1010.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No