Information card for entry 7238623

Structure parameters

• Formula: C21 H15 N O
• Calculated formula: C21 H15 N O
• Title of publication: One-pot solvent-free synthesis of quinolines by C‒H activation/C‒C Bond formation catalyzed by recyclable iron(iii) triflate
• Authors of publication: Yao, Changsheng; Qin, Bingbin; Zhang, Honghong; Lu, Jun; Wang, Donglin; Tu, Shujiang
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 3759
• a: 13.74 ± 0.002 Å
• b: 7.0021 ± 0.0012 Å
• c: 15.55 ± 0.003 Å
• α: 90°
• β: 95.82 ± 0.004°
• γ: 90°
• Cell volume: 1488.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0592
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No