Information card for entry 7120487

Structure parameters

• Formula: C24 H27 N2 O7 P
• Calculated formula: C24 H27 N2 O7 P
• SMILES: P(=O)(OCC)(OCC)C(Oc1ccc(C)cc1)c1cc2cc3OCOc3cc2[nH]c1=O.N#CC
• 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: 12.598 ± 0.013 Å
• b: 15.985 ± 0.017 Å
• c: 12.834 ± 0.013 Å
• α: 90°
• β: 93.364 ± 0.018°
• γ: 90°
• Cell volume: 2580 ± 5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2159
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No