Information card for entry 4130278
| Formula |
C10 H18 N4 O |
| Calculated formula |
C10 H18 N4 O |
| SMILES |
C(=O)(NCCc1nc[nH]c1)NCCCC |
| Title of publication |
Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation. |
| Authors of publication |
Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2016 |
| Journal volume |
138 |
| Journal issue |
16 |
| Pages of publication |
5403 - 5409 |
| a |
11.2054 ± 0.0008 Å |
| b |
5.6226 ± 0.0007 Å |
| c |
17.6834 ± 0.0014 Å |
| α |
90° |
| β |
93.73 ± 0.006° |
| γ |
90° |
| Cell volume |
1111.76 ± 0.18 Å3 |
| Cell temperature |
175 K |
| Ambient diffraction temperature |
175 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 |
0.0889 |
| Residual factor for significantly intense reflections |
0.077 |
| Weighted residual factors for all reflections |
0.0831 |
| Weighted residual factors for significantly intense reflections |
0.0786 |
| Weighted residual factors for all reflections included in the refinement |
0.0786 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.9704 |
| 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/4130278.html
