Information card for entry 4505178

Structure parameters

• Chemical name: 1-(3,5-di-t-butyl-4-hydroxyphenyl)-1,2,4-triazole
• Formula: C16 H23 N3 O
• Calculated formula: C14 H21 N5 O
• Title of publication: Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings
• Authors of publication: Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1867
• a: 13.3482 ± 0.0003 Å
• b: 10.436 ± 0.0003 Å
• c: 11.372 ± 0.0003 Å
• α: 90°
• β: 93.652 ± 0.002°
• γ: 90°
• Cell volume: 1580.92 ± 0.07 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No