Information card for entry 2219217

Structure parameters

• Chemical name: N^2^,N^2^,N^4^,N^4^,N^6^,N^6^-Hexapropyl-1,3,5-triazine-2,4,6-triamine
• Formula: C21 H42 N6
• Calculated formula: C21 H42 N6
• SMILES: N(CCC)(CCC)c1nc(N(CCC)CCC)nc(N(CCC)CCC)n1
• Title of publication: <i>N</i>^2^,<i>N</i>^2^,<i>N</i>^4^,<i>N</i>^4^,<i>N</i>^6^,<i>N</i>^6^-Hexapropyl-1,3,5-triazine-2,4,6-triamine
• Authors of publication: Li, Yu-Feng; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1744
• a: 9.847 ± 0.002 Å
• b: 12.044 ± 0.002 Å
• c: 12.91 ± 0.003 Å
• α: 116.57 ± 0.02°
• β: 96.94 ± 0.04°
• γ: 106.81 ± 0.03°
• Cell volume: 1253.7 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1938
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes