Information card for entry 4512424

Structure parameters

• Formula: C29 H33 N O4
• Calculated formula: C29 H33 N O4
• SMILES: O=c1[nH]c2c(cc1C1C3=C(OC4=C1C(=O)CC(C4)(C)C)CC(CC3=O)(C)C)cc(cc2)C(C)C
• Title of publication: Efficient synthesis and evaluation of antitumor activities of novel functionalized 1,8-naphthyridine derivatives.
• Authors of publication: Fu, Lei; Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Hu, Jun-Die; Zhang, Juan-Juan; Zhao, Yan-Wei; Huang, Zhi-Bin; Shi, Da-Qing
• Journal of publication: ACS combinatorial science
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 24 - 31
• a: 12.9044 ± 0.0009 Å
• b: 12.0994 ± 0.0005 Å
• c: 17.6179 ± 0.001 Å
• α: 90°
• β: 110.508 ± 0.007°
• γ: 90°
• Cell volume: 2576.4 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No