Information card for entry 7210617
| Formula |
C11 H16 N4 O3 |
| Calculated formula |
C11 H16 N4 O3 |
| SMILES |
O.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 |
13.554 ± 0.002 Å |
| b |
21.511 ± 0.003 Å |
| c |
4.517 ± 0.0007 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1317 ± 0.3 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 |
0.0561 |
| Residual factor for significantly intense reflections |
0.0381 |
| Weighted residual factors for significantly intense reflections |
0.1036 |
| Weighted residual factors for all reflections included in the refinement |
0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.829 |
| 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/7210617.html
