Information card for entry 2005786

Structure parameters

• Chemical name: 1,3-diphenyl-1,2,4-benzotriazin-4(1H)-yl
• Formula: C19 H14 N3
• Calculated formula: C19 H14 N3
• Title of publication: Columnar Stacking of 1,3-Diphenyl-1,2,4-benzotriazin-4(1<i>H</i>)-yl Radicals
• Authors of publication: Krieger, C.; Neugebauer, F. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3124 - 3126
• a: 10.477 ± 0.002 Å
• b: 6.953 ± 0.001 Å
• c: 19.865 ± 0.003 Å
• α: 90°
• β: 99.55 ± 0.02°
• γ: 90°
• Cell volume: 1427 ± 0.4 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• 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: 0.041
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 2.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No