Information card for entry 2232803
Chemical name |
2-[4-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide |
Formula |
C15 H21 N2 O4 |
Calculated formula |
C15 H21 N2 O4 |
SMILES |
C1(C(C)(C)N(=C(c2ccc(cc2)OCCO)[N]1=O)=O)(C)C |
Title of publication |
2-[4-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide |
Authors of publication |
Jing, Lin-Lin; Ma, Hui-Ping; Fan, Xiao-Fei; He, Lei; Jia, Zheng-Ping |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
12 |
Pages of publication |
o3348 |
a |
8.869 ± 0.003 Å |
b |
16.05 ± 0.005 Å |
c |
20.925 ± 0.006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2978.6 ± 1.6 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.074 |
Residual factor for significantly intense reflections |
0.0472 |
Weighted residual factors for significantly intense reflections |
0.1357 |
Weighted residual factors for all reflections included in the refinement |
0.1633 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.954 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2232803.html