Information card for entry 4130275
| Formula |
C14 H28 N4 O2 |
| Calculated formula |
C14 H28 N4 O2 |
| SMILES |
O=C(NC(CCCCCC)C)NCCc1nc[nH]c1.O |
| 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 |
12.8 ± 0.0003 Å |
| b |
4.5826 ± 0.0002 Å |
| c |
28.8266 ± 0.0011 Å |
| α |
90° |
| β |
96.488 ± 0.003° |
| γ |
90° |
| Cell volume |
1680.06 ± 0.11 Å3 |
| Cell temperature |
175 K |
| Ambient diffraction temperature |
175 K |
| Number of distinct elements |
4 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.1762 |
| Residual factor for significantly intense reflections |
0.154 |
| Weighted residual factors for all reflections |
0.2064 |
| Weighted residual factors for significantly intense reflections |
0.1687 |
| Weighted residual factors for all reflections included in the refinement |
0.1687 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0674 |
| Diffraction radiation wavelength |
0.78965 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4130275.html
