Information card for entry 7151323

Structure parameters

• Formula: C27 H24 N2 O4
• Calculated formula: C27 H24 N2 O4
• SMILES: O=C1C2=C(N(C3=C(C2c2ccc(N(=O)=O)cc2)C(=O)c2ccccc32)C2CC2)CC(C1)(C)C
• 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: 28.768 ± 0.005 Å
• b: 8.9966 ± 0.0012 Å
• c: 17.703 ± 0.003 Å
• α: 90°
• β: 108.727 ± 0.004°
• γ: 90°
• Cell volume: 4339.2 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No