Information card for entry 4033809

Structure parameters

• Formula: C22 H18 N2 O
• Calculated formula: C22 H18 N2 O
• SMILES: c12c(cc3ccccc3n1)C(=O)C(=C2N1CCCC1)c1ccccc1
• 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: 8.8279 ± 0.0004 Å
• b: 11.0895 ± 0.0005 Å
• c: 16.9907 ± 0.0007 Å
• α: 90°
• β: 93.943 ± 0.002°
• γ: 90°
• Cell volume: 1659.4 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0614
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No