Information card for entry 7151324

Structure parameters

• Formula: C59 H53 N3 O5 S2
• Calculated formula: C59 H53 N3 O5 S2
• Title of publication: Efficient and direct synthesis of poly-substituted indeno[1,2-b]quinolines assisted by p-toluene sulfonic acid using high-temperature water and microwave heating via one-pot, three-component reaction.
• Authors of publication: Tu, Shu-Jiang; Jiang, Bo; Zhang, Jun-Yong; Jia, Run-Hong; Zhang, Yan; Yao, Chang-Sheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 21
• Pages of publication: 3980 - 3985
• a: 15.081 ± 0.002 Å
• b: 9.4381 ± 0.0014 Å
• c: 35.102 ± 0.006 Å
• α: 90°
• β: 92.041 ± 0.003°
• γ: 90°
• Cell volume: 4993.1 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1602
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No