Information card for entry 1553504

Structure parameters

• Formula: C22 H25 N2 O4 P
• Calculated formula: C22 H25 N2 O4 P
• SMILES: c1(ccc(c2c1cccn2)NC(=O)c1ccccc1)P(=O)(OC(C)C)OC(C)C
• 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: 8.9115 ± 0.0007 Å
• b: 11.1099 ± 0.0007 Å
• c: 11.8272 ± 0.0009 Å
• α: 83.858 ± 0.006°
• β: 86.228 ± 0.006°
• γ: 67.922 ± 0.006°
• Cell volume: 1078.45 ± 0.14 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.1204
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2075
• Weighted residual factors for all reflections included in the refinement: 0.2482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No