Information card for entry 1542694

Structure parameters

• Formula: C29 H25 F2 N O3
• Calculated formula: C29 H25 F2 N O3
• SMILES: FC(F)(C(=O)OCC)CC12C(=C(c3ccccc3)c3ccccc3C1)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: 10.2357 ± 0.0007 Å
• b: 10.5168 ± 0.0006 Å
• c: 12.7893 ± 0.0006 Å
• α: 71.454 ± 0.005°
• β: 71.195 ± 0.006°
• γ: 73.002 ± 0.006°
• Cell volume: 1207.61 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0789
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No