Information card for entry 2203192

Structure parameters

• Chemical name: Diethyl phenyl(4-pyridylcarbonylamino)methylphosphonate
• Formula: C17 H21 N2 O4 P
• Calculated formula: C17 H21 N2 O4 P
• SMILES: P(=O)(OCC)(OCC)C(NC(=O)c1ccncc1)c1ccccc1
• Title of publication: Diethyl phenyl(4-pyridylcarbonylamino)methylphosphonate
• Authors of publication: Fang, Hua; Wang, Jian-Feng; Liu, Xiao-Xia; Zhao, Yu-Fen; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o153 - o154
• a: 23.714 ± 0.001 Å
• b: 8.0928 ± 0.0004 Å
• c: 20.012 ± 0.001 Å
• α: 90°
• β: 110.325 ± 0.001°
• γ: 90°
• Cell volume: 3601.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes