Information card for entry 2221256
Chemical name |
1-(2,3,5,6-Tetramethylbenzyloxy)-1<i>H</i>-benzotriazole |
Formula |
C17 H19 N3 O |
Calculated formula |
C17 H19 N3 O |
SMILES |
n1(nnc2ccccc12)OCc1c(c(cc(c1C)C)C)C |
Title of publication |
1-(2,3,5,6-Tetramethylbenzyloxy)-1<i>H</i>-benzotriazole |
Authors of publication |
Ravindran Durai Nayagam, B.; Jebas, Samuel Robinson; Edward Rajkumar, J. P; Schollmeyer, Dieter |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
o917 |
a |
4.9737 ± 0.0008 Å |
b |
26.3838 ± 0.0018 Å |
c |
11.49 ± 0.002 Å |
α |
90° |
β |
105.977 ± 0.007° |
γ |
90° |
Cell volume |
1449.5 ± 0.4 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0488 |
Residual factor for significantly intense reflections |
0.0469 |
Weighted residual factors for significantly intense reflections |
0.133 |
Weighted residual factors for all reflections included in the refinement |
0.1347 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.082 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2221256.html