Information card for entry 7153737

Structure parameters

• Formula: C22 H17 N O
• Calculated formula: C22 H17 N O
• SMILES: n1c(ccc2cc(c3ccc(OC)cc3)ccc12)c1ccccc1
• Title of publication: N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.
• Authors of publication: Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 3114 - 3122
• a: 6.3212 ± 0.0016 Å
• b: 7.4318 ± 0.0019 Å
• c: 33.967 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1595.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No