Information card for entry 2228110
Chemical name |
Bis[2-((4,6-dimethylpyrimidin-2-yl){2-[(4,6-dimethylpyrimidin-2- yl)sulfanyl]ethyl}amino)ethyl] disulfide |
Formula |
C32 H44 N10 S4 |
Calculated formula |
C32 H44 N10 S4 |
SMILES |
S(SCCN(c1nc(C)cc(n1)C)CCSc1nc(C)cc(n1)C)CCN(c1nc(C)cc(n1)C)CCSc1nc(C)cc(n1)C |
Title of publication |
Bis[2-((4,6-dimethylpyrimidin-2-yl){2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}amino)ethyl] disulfide |
Authors of publication |
Wang, Guo-Qing; Ma, Cong-Hui; Li, Wen-Ge; Li, Xiao-Feng; Ng, Seik Weng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
10 |
Pages of publication |
o2517 |
a |
11.7626 ± 0.0005 Å |
b |
12.7672 ± 0.0006 Å |
c |
13.7444 ± 0.0007 Å |
α |
106.382 ± 0.004° |
β |
103.276 ± 0.004° |
γ |
102.294 ± 0.004° |
Cell volume |
1840.15 ± 0.17 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0984 |
Residual factor for significantly intense reflections |
0.0805 |
Weighted residual factors for significantly intense reflections |
0.2378 |
Weighted residual factors for all reflections included in the refinement |
0.2519 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.065 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2228110.html