Information card for entry 2239219

Structure parameters

• Chemical name: Diisopropyl [(4-methoxybenzamido)(<i>p</i>-tolyl)methyl]phosphonate
• Formula: C22 H30 N O5 P
• Calculated formula: C22 H30 N O5 P
• SMILES: P(=O)(OC(C)C)(OC(C)C)C(NC(=O)c1ccc(cc1)C)c1ccc(OC)cc1
• Title of publication: Diisopropyl [(4-methoxybenzamido)(<i>p</i>-tolyl)methyl]phosphonate
• Authors of publication: Fang, Hua; Wang, Guang-Qin; Chen, Wei-Zhu; Yi, Rui-Zao; Hong, Zhuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o428
• a: 12.49 ± 0.0007 Å
• b: 14.0338 ± 0.0008 Å
• c: 14.5693 ± 0.0009 Å
• α: 73.389 ± 0.005°
• β: 76.324 ± 0.005°
• γ: 78.609 ± 0.005°
• Cell volume: 2354.5 ± 0.2 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: 0.1112
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes