Information card for entry 1512351

Structure parameters

• Formula: C18 H18 N2 O3
• Calculated formula: C18 H18 N2 O3
• SMILES: O1[C@H]2c3c(N[C@H]([C@H]2CCC1)c1c(N(=O)=O)cccc1)cccc3.O1[C@@H]2c3c(N[C@@H]([C@@H]2CCC1)c1c(N(=O)=O)cccc1)cccc3
• Title of publication: Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines
• Authors of publication: Lin, Wen-Chung; Yang, Ding-Yah
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 4862
• a: 8.2315 ± 0.0006 Å
• b: 10.0246 ± 0.0007 Å
• c: 10.7097 ± 0.0007 Å
• α: 115.321 ± 0.007°
• β: 94.926 ± 0.006°
• γ: 105.247 ± 0.006°
• Cell volume: 750.52 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0525
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No