Information card for entry 1512357

Structure parameters

• Formula: C20 H21 N3 O3
• Calculated formula: C20 H21 N3 O3
• SMILES: COc1ccc2c(c1)C(Cc1n2nc2c1cccc2)N1CCCC1=O.O
• 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: 8.9628 ± 0.0007 Å
• b: 9.443 ± 0.0007 Å
• c: 10.9622 ± 0.0007 Å
• α: 71.501 ± 0.002°
• β: 81.59 ± 0.002°
• γ: 80.26 ± 0.003°
• Cell volume: 862.91 ± 0.11 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0822
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No