Information card for entry 2232800

Structure parameters

• Chemical name: <i>N</i>^4^,<i>N</i>^6^-Dimethyl-<i>N</i>^4^,<i>N</i>^6^- diphenylpyrimidine-4,5,6-triamine
• Formula: C18 H19 N5
• Calculated formula: C18 H19 N5
• SMILES: c1nc(c(c(n1)N(c1ccccc1)C)N)N(c1ccccc1)C
• Title of publication: <i>N</i>^4^,<i>N</i>^6^-Dimethyl-<i>N</i>^4^,<i>N</i>^6^-diphenylpyrimidine-4,5,6-triamine
• Authors of publication: Shi, Fuqiang; Zhu, Li-Hong; Mu, Li; Zhang, Long; Li, Ya-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3249
• a: 8.8859 ± 0.0018 Å
• b: 14.36 ± 0.003 Å
• c: 25.121 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3205.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes