Information card for entry 1542693

Structure parameters

• Formula: C26 H20 F3 N O
• Calculated formula: C26 H20 F3 N O
• SMILES: FC(F)(F)CC12C(=C(c3c(cccc3)C1)c1ccccc1)c1ccccc1N(C2=O)C
• Title of publication: Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines.
• Authors of publication: Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 600 - 603
• a: 18.3718 ± 0.0011 Å
• b: 5.6809 ± 0.0003 Å
• c: 40.089 ± 0.003 Å
• α: 90°
• β: 100.975 ± 0.006°
• γ: 90°
• Cell volume: 4107.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No