Information card for entry 4033808

Structure parameters

• Formula: C19 H14 N O2
• Calculated formula: C19 H14 N O2
• SMILES: O(C1OC(=C\c2ccccc2)/c2nc3c(cc12)cccc3)C
• Title of publication: Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.
• Authors of publication: Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 10710 - 10723
• a: 6.851 ± 0.005 Å
• b: 8.263 ± 0.005 Å
• c: 13.822 ± 0.005 Å
• α: 91.426 ± 0.005°
• β: 96.359 ± 0.005°
• γ: 109.445 ± 0.005°
• Cell volume: 731.7 ± 0.7 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: 0.1359
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No