Information card for entry 8105801

Structure parameters

• Formula: C14 H19 N3
• Calculated formula: C14 H19 N3
• Title of publication: Crystal structure of 4-tert-butyl-1-(2,6-dimethylphenyl)-1H-1,2,3-triazole, C14H19N3
• Authors of publication: Yerima, Iliya B.; Zamisa, Sizwe J.; Bala, Muhammad D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 625 - 627
• a: 22.2821 ± 0.0008 Å
• b: 10.8464 ± 0.0004 Å
• c: 10.8509 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2622.45 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0331
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No