Information card for entry 1551610

Structure parameters

• Formula: C16 H20 N O3 P
• Calculated formula: C16 H20 N O3 P
• SMILES: P(=O)(Oc1ccccc1)(NC(C)CC)Oc1ccccc1
• Title of publication: Synthesis, Spectroscopic Study and Crystal Structure of a New Amidophosphonate, (C₆H₅O)₂P(O)(NHCH(CH₃)(C₂H₅))
• Authors of publication: HAMZEHEE, Farahnaz; POURAYOUBI, Mehrdad; CHOQUESILLO-LAZARTE, Duane
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2016
• Journal volume: 32
• Journal issue: 0
• Pages of publication: 47
• a: 13.277 ± 0.002 Å
• b: 5.2887 ± 0.0007 Å
• c: 21.962 ± 0.005 Å
• α: 90°
• β: 99.542 ± 0.006°
• γ: 90°
• Cell volume: 1520.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No