Information card for entry 8103356

Structure parameters

• Formula: C28 H32 N4 O3 P2
• Calculated formula: C28 H32 N4 O3 P2
• SMILES: P(=O)(OP(=O)(Nc1ccc(cc1)C)Nc1ccc(cc1)C)(Nc1ccc(cc1)C)Nc1ccc(cc1)C
• Title of publication: Crystal structure of N,N',N'',N'''-tetrakis(4-methylphenyl)diphosphoric tetraamide, C28H32N4O3P2
• Authors of publication: Mehrdad Pourayoubi; Hassan Fadaei; Atekeh Tarahhomi; Masood Parvez
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 205
• a: 13.0365 ± 0.0005 Å
• b: 9.6142 ± 0.0002 Å
• c: 22.3704 ± 0.0008 Å
• α: 90°
• β: 106.08 ± 0.0014°
• γ: 90°
• Cell volume: 2694.11 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.177
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.425
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No