Information card for entry 2011472
Chemical name |
2,4,5-Triphenyl-4H-imidazol-4-yl-hydroperoxide dichloromethane solvate (2:1) |
Formula |
C43 H34 Cl2 N4 O4 |
Calculated formula |
C43 H34 Cl2 N4 O4 |
SMILES |
ClCCl.O(O)C1(N=C(N=C1c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication |
2,4,5-Triphenyl-4<i>H</i>-imidazol-4-yl hydroperoxide‒dichloromethane (2/1) |
Authors of publication |
Hu, Zhi Zhi; Takami, Shizuka; Kimura, Masaru; Tachi, Yoshimitsu; Naruta, Yoshinori |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2000 |
Journal volume |
56 |
Journal issue |
10 |
Pages of publication |
e465 - e466 |
a |
19.519 ± 0.001 Å |
b |
14.269 ± 0.001 Å |
c |
26.068 ± 0.002 Å |
α |
90° |
β |
94.456 ± 0.002° |
γ |
90° |
Cell volume |
7238.4 ± 0.8 Å3 |
Cell temperature |
123.2 K |
Ambient diffraction temperature |
293 K |
Number of distinct elements |
5 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for significantly intense reflections |
0.051 |
Weighted residual factors for all reflections included in the refinement |
0.142 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.149 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2011472.html