Information card for entry 4505178
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 Å3 |
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 |
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https://www.crystallography.net/4505178.html