Information card for entry 2218783
Chemical name |
N,N'-Bis[2-(methoxycarbonyl)ethyl]ethane-1,2-diammonium dichloride |
Formula |
C10 H22 Cl2 N2 O4 |
Calculated formula |
C10 H22 Cl2 N2 O4 |
SMILES |
[NH2+](CC[NH2+]CCC(=O)OC)CCC(=O)OC.[Cl-].[Cl-] |
Title of publication |
<i>N</i>,<i>N</i>'-Bis[2-(methoxycarbonyl)ethyl]ethane-1,2-diammonium dichloride |
Authors of publication |
Kaluderović, Goran N.; Paethanom, Anchan; Wagner, Christoph; Sabo, Tibor J.; Schmidt, Harry |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
7 |
Pages of publication |
o1232 |
a |
8.903 ± 0.0008 Å |
b |
10.3327 ± 0.001 Å |
c |
8.3269 ± 0.001 Å |
α |
90° |
β |
101.763 ± 0.01° |
γ |
90° |
Cell volume |
749.92 ± 0.14 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
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 |
0.0582 |
Residual factor for significantly intense reflections |
0.0362 |
Weighted residual factors for significantly intense reflections |
0.0768 |
Weighted residual factors for all reflections included in the refinement |
0.0854 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.126 |
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/2218783.html