Information card for entry 2221063

Structure parameters

• Chemical name: Diisopropyl [(benzoylamino)(phenyl)methyl]phosphonate
• Formula: C20 H26 N O4 P
• Calculated formula: C20 H26 N O4 P
• SMILES: P(=O)(OC(C)C)(OC(C)C)C(NC(=O)c1ccccc1)c1ccccc1
• Title of publication: Diisopropyl [(benzoylamino)(phenyl)methyl]phosphonate
• Authors of publication: Fang, Hua; Fang, Mei-Juan; Xu, Ying; Yu, Wen-Cheng; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o642
• a: 10.839 ± 0.004 Å
• b: 10.925 ± 0.005 Å
• c: 11.057 ± 0.005 Å
• α: 61.364 ± 0.008°
• β: 83.362 ± 0.008°
• γ: 60.47 ± 0.006°
• Cell volume: 987.3 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes