Information card for entry 2233215
Chemical name |
2-[3-Hydroxy-4-(2-hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide |
Formula |
C15 H21 N2 O5 |
Calculated formula |
C15 H21 N2 O5 |
SMILES |
c1(c(cc(cc1)C1=N(C(C(C)(C)[N]1=O)(C)C)=O)O)OCCO |
Title of publication |
2-[3-Hydroxy-4-(2-hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide |
Authors of publication |
Ma, Hui-Ping; Jing, Lin-Lin; He, Lei; Fan, Peng-Cheng; Jia, Zheng-Ping |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o218 |
a |
9.787 ± 0.004 Å |
b |
9.302 ± 0.003 Å |
c |
16.657 ± 0.006 Å |
α |
90° |
β |
93.525 ± 0.003° |
γ |
90° |
Cell volume |
1513.6 ± 1 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 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 |
0.052 |
Residual factor for significantly intense reflections |
0.0376 |
Weighted residual factors for significantly intense reflections |
0.0937 |
Weighted residual factors for all reflections included in the refinement |
0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.005 |
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/2233215.html