Information card for entry 7201056
Formula |
C14 H20 N4 O10 S |
Calculated formula |
C14 H20 N4 O10 S |
SMILES |
S(=O)(=O)([O-])[O-].c1ccc(c[nH+]1)NC(=O)OCCOC(=O)Nc1ccc[nH+]c1.O.O |
Title of publication |
A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain |
Authors of publication |
Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan |
Journal of publication |
CrystEngComm |
Year of publication |
2009 |
Journal volume |
11 |
Journal issue |
9 |
Pages of publication |
1849 |
a |
6.855 ± 0.0014 Å |
b |
36.204 ± 0.007 Å |
c |
7.5513 ± 0.0015 Å |
α |
90° |
β |
90.79 ± 0.03° |
γ |
90° |
Cell volume |
1873.9 ± 0.6 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 |
0.0543 |
Residual factor for significantly intense reflections |
0.0421 |
Weighted residual factors for significantly intense reflections |
0.1112 |
Weighted residual factors for all reflections included in the refinement |
0.1186 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.022 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7201056.html