Information card for entry 4512423

Structure parameters

• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: n1c2OC3C(=Cc2cc2c1cccc2)C(=O)CC(C=3)(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: 15.516 ± 0.0016 Å
• b: 7.516 ± 0.0008 Å
• c: 12.331 ± 0.0012 Å
• α: 90°
• β: 92.523 ± 0.001°
• γ: 90°
• Cell volume: 1436.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1259
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No