Information card for entry 7120489

Structure parameters

• Formula: C23 H26 N O5 P
• Calculated formula: C22 H26 N2 O5 P
• SMILES: P(=O)(OCC)(OCC)Cc1ccc(/N=C/c2c(=O)[nH]c3ccc(OC)cc3c2)cc1
• Title of publication: Design, synthesis and pharmacological evaluation of new 2-oxo-quinoline derivatives containing α-aminophosphonates as potential antitumor agents
• Authors of publication: Yu, Yan-Cheng; Kuang, Wen-Bin; Huang, Ri-Zhen; Fang, Yi-Lin; Zhang, Ye; Chen, Zhengfeng; Ma, Xian-li
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2017
• a: 8.405 ± 0.002 Å
• b: 16.66 ± 0.003 Å
• c: 16.156 ± 0.003 Å
• α: 90°
• β: 99.29 ± 0.02°
• γ: 90°
• Cell volume: 2232.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1627
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No