Information card for entry 2311853

Structure parameters

• Chemical name: 2-[Cyclohexyl(methyl)amino]-5,5-dimethyl-1,3,2λ^5^-diazaphosphinan-2-one
• Formula: C12 H26 N3 O P
• Calculated formula: C12 H26 N3 O P
• SMILES: P1(=O)(NCC(CN1)(C)C)N(C1CCCCC1)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: 6.3318 ± 0.0003 Å
• b: 10.3065 ± 0.0005 Å
• c: 23.1616 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1511.5 ± 0.12 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1244
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9665
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No