Information card for entry 2015205

Structure parameters

• Chemical name: N,N',N''-Tris(p-methoxyphenyl)phosphoric triamide
• Formula: C21 H24 N3 O4 P
• Calculated formula: C21 H24 N3 O4 P
• SMILES: P(=O)(Nc1ccc(OC)cc1)(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1
• Title of publication: <i>N</i>,<i>N</i>',<i>N</i>''-Tris(<i>p</i>-methoxyphenyl)phosphoric triamide
• Authors of publication: Li, Chenguang; Dyer, Daniel J.; Rath, Nigam P.; Robinson, Paul D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o654 - o656
• a: 11.93 ± 0.002 Å
• b: 21.79 ± 0.004 Å
• c: 7.77 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2019.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes