Information card for entry 2311850

Structure parameters

• Chemical name: <i>rac</i>-<i>N</i>-<i>tert</i>-Butyl-<i>N</i>',<i>N</i>''-dicyclohexyl-<i>N</i>''-methylphosphoric triamide
• Formula: C17 H36 N3 O P
• Calculated formula: C17 H36 N3 O P
• Title of publication: Syntheses and structures of four new mixed-amide phosphoric triamides.
• Authors of publication: Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2016
• Journal volume: 72
• Journal issue: Pt 3
• Pages of publication: 251 - 259
• a: 11.9879 ± 0.0004 Å
• b: 19.1972 ± 0.0006 Å
• c: 17.072 ± 0.0006 Å
• α: 90°
• β: 90.542 ± 0.003°
• γ: 90°
• Cell volume: 3928.7 ± 0.2 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for all reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No