Information card for entry 2204878

Structure parameters

• Chemical name: 5-(N,N-Diethylamino)-4,6-diphenyl-1,2,3-triazine
• Formula: C19 H20 N4
• Calculated formula: C19 H20 N4
• SMILES: n1nnc(c(N(CC)CC)c1c1ccccc1)c1ccccc1
• Title of publication: 5-(<i>N</i>,<i>N</i>-Diethylamino)-4,6-diphenyl-1,2,3-triazine
• Authors of publication: Rozycka-Sokolowska, Ewa; Girek, Tomasz; Marciniak, Bernard; Pavlyuk, Volodymyr; Drabowicz, Jozef; Matsumoto, Kyoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o93 - o95
• a: 12.535 ± 0.003 Å
• b: 7.856 ± 0.002 Å
• c: 16.253 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1600.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes