Information card for entry 4130276
| Formula |
C14 H27 N4 O1.5 |
| Calculated formula |
C14 H27 N4 O1.5 |
| SMILES |
O.O=C(NCCc1nc[nH]c1)NCCCCCCCC |
| 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 |
30.18 ± 0.002 Å |
| b |
4.5911 ± 0.0002 Å |
| c |
23.9057 ± 0.0014 Å |
| α |
90° |
| β |
107.482 ± 0.006° |
| γ |
90° |
| Cell volume |
3159.4 ± 0.3 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 |
0.125 |
| Residual factor for significantly intense reflections |
0.1115 |
| Weighted residual factors for all reflections |
0.0916 |
| Weighted residual factors for significantly intense reflections |
0.0831 |
| Weighted residual factors for all reflections included in the refinement |
0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.9692 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/4130276.html
