Information card for entry 2222298
Chemical name |
Di-<i>tert</i>-butyl 3,3'-(2,2'-bi-1<i>H</i>-imidazole-1,1'-diyl)dipropanoate |
Formula |
C20 H30 N4 O4 |
Calculated formula |
C20 H30 N4 O4 |
SMILES |
CCCCOC(=O)CCn1ccnc1c1nccn1CCC(=O)OCCCC |
Title of publication |
Di-<i>tert</i>-butyl 3,3'-(2,2'-bi-1<i>H</i>-imidazole-1,1'-diyl)dipropanoate |
Authors of publication |
Wang, Ke; Li, Yue-Jiao; Zhang, Ting-Ting; Liang, Hong-Ze |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
7 |
Pages of publication |
o1577 |
a |
7.0321 ± 0.0014 Å |
b |
17.484 ± 0.004 Å |
c |
8.9681 ± 0.0018 Å |
α |
90° |
β |
100.8 ± 0.03° |
γ |
90° |
Cell volume |
1083.1 ± 0.4 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 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 |
0.1237 |
Residual factor for significantly intense reflections |
0.0773 |
Weighted residual factors for significantly intense reflections |
0.1627 |
Weighted residual factors for all reflections included in the refinement |
0.1897 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
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/2222298.html