Information card for entry 7120488

Structure parameters

• Formula: C21 H24 N3 O7 P
• Calculated formula: C21 H24 N3 O7 P
• SMILES: P(=O)(OCC)(OCC)C(Nc1ccc(N(=O)=O)cc1)c1cc2cc(OC)ccc2[nH]c1=O
• 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: 8.0905 ± 0.0008 Å
• b: 11.3328 ± 0.0017 Å
• c: 11.78 ± 0.004 Å
• α: 91.967 ± 0.017°
• β: 90.537 ± 0.014°
• γ: 99.464 ± 0.01°
• Cell volume: 1064.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No