Information card for entry 2228487

Structure parameters

• Chemical name: Diphenyl (<i>p</i>-tolylamido)phosphate
• Formula: C19 H18 N O3 P
• Calculated formula: C19 H18 N O3 P
• SMILES: P(=O)(Oc1ccccc1)(Oc1ccccc1)Nc1ccc(cc1)C
• Title of publication: Diphenyl (<i>p</i>-tolylamido)phosphate
• Authors of publication: Pourayoubi, Mehrdad; Zargaran, Poorya; Ghammamy, Shahriar; Eshtiagh-Hosseini, Hossein
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3357
• a: 9.7406 ± 0.001 Å
• b: 9.9653 ± 0.001 Å
• c: 11.1788 ± 0.0012 Å
• α: 96.337 ± 0.002°
• β: 109.303 ± 0.002°
• γ: 117.827 ± 0.002°
• Cell volume: 858.93 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes