Information card for entry 2231975

Structure parameters

• Chemical name: Cyclohexyl(methyl)ammonium {bis[cyclohexyl(methyl)amino]phosphoryl}(4-methylphenylsulfonyl)azanide
• Formula: C28 H51 N4 O3 P S
• Calculated formula: C28 H51 N4 O3 P S
• SMILES: S(=O)([O-])(=NP(=O)(N(C)C1CCCCC1)N(C)C1CCCCC1)c1ccc(cc1)C.[NH2+](C1CCCCC1)C
• Title of publication: Cyclohexyl(methyl)ammonium {bis[cyclohexyl(methyl)amino]phosphoryl}(4-methylphenylsulfonyl)azanide
• Authors of publication: Pourayoubi, Mehrdad; Fadaei, Hassan; Tarahhomi, Atekeh; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2795
• a: 10.6514 ± 0.0005 Å
• b: 11.5984 ± 0.0005 Å
• c: 13.5681 ± 0.0006 Å
• α: 103.738 ± 0.003°
• β: 97.201 ± 0.002°
• γ: 107.584 ± 0.002°
• Cell volume: 1516.59 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1473
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes