Information card for entry 2230639
Chemical name |
1-[2,2-Bis(1,3-benzimidazol-1-ylmethyl)-3-bromopropyl]-1,3-benzimidazole |
Formula |
C26 H23 Br N6 |
Calculated formula |
C26 H23 Br N6 |
SMILES |
BrCC(Cn1c2c(nc1)cccc2)(Cn1c2c(cccc2)nc1)Cn1c2ccccc2nc1 |
Title of publication |
1-[2,2-Bis(1,3-benzimidazol-1-ylmethyl)-3-bromopropyl]-1,3-benzimidazole |
Authors of publication |
Wei, Tai-Bao; Lu, Yan-Yun; Cao, Cheng; Yao, Hong; Zhang, You-Ming |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1833 |
a |
9.297 ± 0.004 Å |
b |
11.869 ± 0.005 Å |
c |
13.661 ± 0.006 Å |
α |
68.956 ± 0.004° |
β |
77.398 ± 0.004° |
γ |
84.805 ± 0.004° |
Cell volume |
1372.9 ± 1 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 |
0.0588 |
Residual factor for significantly intense reflections |
0.0366 |
Weighted residual factors for significantly intense reflections |
0.0812 |
Weighted residual factors for all reflections included in the refinement |
0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.012 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2230639.html