Information card for entry 7210616
| Formula |
C11 H14 N4 O2 |
| Calculated formula |
C11 H14 N4 O2 |
| SMILES |
O.O.c1nccn1Cc1[nH]c2ccccc2n1 |
| Title of publication |
Dynamic one-dimensional water in a nonporous organic solid with optics response |
| Authors of publication |
Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang |
| Journal of publication |
CrystEngComm |
| Year of publication |
2013 |
| Journal volume |
15 |
| Journal issue |
37 |
| Pages of publication |
7430 |
| a |
14.032 ± 0.008 Å |
| b |
19.114 ± 0.01 Å |
| c |
4.625 ± 0.003 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1240.5 ± 1.3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
33 |
| Hermann-Mauguin space group symbol |
P n a 21 |
| Hall space group symbol |
P 2c -2n |
| Residual factor for all reflections |
0.0986 |
| Residual factor for significantly intense reflections |
0.0469 |
| Weighted residual factors for significantly intense reflections |
0.1037 |
| Weighted residual factors for all reflections included in the refinement |
0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.011 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7210616.html
