Information card for entry 7218412
Formula |
C9.75 H9.75 N9.75 O9.75 |
Calculated formula |
C19 H15 N5 O7 |
SMILES |
[O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.[nH+]1ccc(cc1)/C=C/c1ccc(N)cc1 |
Title of publication |
A small-molecule chemosensor for the selective detection of 2,4,6-trinitrophenol (TNP) |
Authors of publication |
Pan, Jianting; Tang, Fang; Ding, Aixiang; kong, lin; Yang, Long-Mei; Tao, Xutang; Tian, Yupeng; Yang, Jiaxiang |
Journal of publication |
RSC Adv. |
Year of publication |
2014 |
a |
7.917 ± 0.005 Å |
b |
12.258 ± 0.005 Å |
c |
20.049 ± 0.005 Å |
α |
90 ± 0.005° |
β |
96.658 ± 0.005° |
γ |
90 ± 0.005° |
Cell volume |
1932.6 ± 1.5 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 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 |
0.1211 |
Residual factor for significantly intense reflections |
0.0802 |
Weighted residual factors for significantly intense reflections |
0.1862 |
Weighted residual factors for all reflections included in the refinement |
0.2164 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.032 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7218412.html