Information card for entry 2205055

Structure parameters

• Chemical name: Dimethyl [phenyl(pyridine-4-carboxamido)methyl]phosphonate
• Formula: C15 H17 N2 O4 P
• Calculated formula: C15 H17 N2 O4 P
• SMILES: P(=O)(OC)(OC)C(NC(=O)c1ccncc1)c1ccccc1
• Title of publication: Dimethyl [phenyl(pyridine-4-carboxamido)methyl]phosphonate
• Authors of publication: Fang, Hua; Fang, Mei-Juan; Liu, Xiao-Xia; Lin, Jing-Jing; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o408 - o409
• a: 10.748 ± 0.003 Å
• b: 14.417 ± 0.004 Å
• c: 10.92 ± 0.003 Å
• α: 90°
• β: 111.28 ± 0.004°
• γ: 90°
• Cell volume: 1576.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes