Information card for entry 1553505

Structure parameters

• Formula: C22 H25 N2 O4 P
• Calculated formula: C22 H25 N2 O4 P
• SMILES: c1cccc(n1)C(=O)Nc1ccc(P(=O)(OC(C)C)OC(C)C)c2c1cccc2
• Title of publication: Silver(i)-promoted C5‒H phosphonation of 8-aminoquinoline amides with H-phosphonates
• Authors of publication: Sun, Mengmeng; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 1646
• a: 15.3031 ± 0.0006 Å
• b: 18.1046 ± 0.0006 Å
• c: 15.6855 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4345.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No