Information card for entry 2311851

Structure parameters

• Chemical name: <i>rac</i>-<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>'-methyl-<i>N</i>''-(<i>p</i>-tolyl)phosphoric triamide
• Formula: C20 H34 N3 O P
• Calculated formula: C20 H34 N3 O P
• SMILES: [P](=O)(N(C1CCCCC1)C)(NC1CCCCC1)Nc1ccc(cc1)C
• 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: 10.9207 ± 0.0004 Å
• b: 24.0557 ± 0.0007 Å
• c: 24.3993 ± 0.0008 Å
• α: 90°
• β: 98.98 ± 0.003°
• γ: 90°
• Cell volume: 6331.3 ± 0.4 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 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: 0.0851
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections: 0.1577
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No