Information card for entry 2236421

Structure parameters

• Chemical name: Diphenyl (methylamido)phosphate
• Formula: C13 H14 N O3 P
• Calculated formula: C13 H14 N O3 P
• SMILES: P(=O)(Oc1ccccc1)(Oc1ccccc1)NC
• Title of publication: Diphenyl (methylamido)phosphate
• Authors of publication: Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Bartoš, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2934
• a: 9.7652 ± 0.0005 Å
• b: 13.6368 ± 0.0006 Å
• c: 10.3537 ± 0.0005 Å
• α: 90°
• β: 114.217 ± 0.006°
• γ: 90°
• Cell volume: 1257.43 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes