Information card for entry 2203966

Structure parameters

• Chemical name: 4,6-dipiperidino-1,3,5-triazin-2(1H)-one
• Formula: C13 H21 N5 O
• Calculated formula: C13 H21 N5 O
• SMILES: n1c(nc([nH]c1=O)N1CCCCC1)N1CCCCC1
• Title of publication: Self-assembly of 4,6-dipiperidino-1,3,5-triazin-2(1<i>H</i>)-one
• Authors of publication: Foces-Foces, C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1159 - o1161
• a: 11.449 ± 0.002 Å
• b: 11.2395 ± 0.0017 Å
• c: 11.918 ± 0.003 Å
• α: 90°
• β: 114.04 ± 0.016°
• γ: 90°
• Cell volume: 1400.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.148
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes