Information card for entry 7230047

Structure parameters

• Formula: C28 H23 N O2
• Calculated formula: C28 H23 N O2
• SMILES: Oc1cc(c(c2nc3ccccc3cc2)c(c1)c1ccccc1)c1ccccc1.OC
• Title of publication: Catalyst- and solvent-free approach to 2-arylated quinolines via [5 + 1] annulation of 2-methylquinolines with diynones
• Authors of publication: Zhao, Hai-Yuan; Wu, Fu-Song; Yang, Li; Liang, Ying; Cao, Xiao-Lin; Wang, Heng-Shan; Pan, Ying-Ming
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 4584
• a: 10.426 ± 0.002 Å
• b: 12.933 ± 0.003 Å
• c: 16.851 ± 0.004 Å
• α: 90°
• β: 100.581 ± 0.003°
• γ: 90°
• Cell volume: 2233.5 ± 0.9 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: 0.0473
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No