Information card for entry 2202374

Structure parameters

• Formula: C18 H30 N6
• Calculated formula: C18 H30 N6
• SMILES: c1(nc(nc(n1)N1CCCCC1)N1CCCCC1)N1CCCCC1
• Title of publication: 2,4,6-Tripiperidino-1,3,5-triazine
• Authors of publication: Khan, Arif Ali; Wismach, Cathleen; Jones, Peter G.; Streubel, Rainer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1757 - o1758
• a: 8.3527 ± 0.0008 Å
• b: 9.8192 ± 0.001 Å
• c: 12.0219 ± 0.0012 Å
• α: 98.377 ± 0.003°
• β: 101.455 ± 0.003°
• γ: 108.361 ± 0.003°
• Cell volume: 893.88 ± 0.16 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes