Information card for entry 7245707
| Formula |
C15 H16 N |
| Calculated formula |
C15 H16 N |
| Title of publication |
Solid-state stability of Z’ < 1 and Z’ = 2 polymorphs of N,N,N’,N’-tetrabenzylethylenediamine: a combined experimental and theoretical study. |
| Authors of publication |
Wang, Zhen; Cui, Xiaoxiao; Famulari, Antonino; Marti-Rujas, Javier; Kariuki, Benson; Guo, Fang |
| Journal of publication |
CrystEngComm |
| Year of publication |
2022 |
| a |
6.356 ± 0.004 Å |
| b |
9.042 ± 0.006 Å |
| c |
11.117 ± 0.007 Å |
| α |
76.992 ± 0.008° |
| β |
86.676 ± 0.007° |
| γ |
79.275 ± 0.008° |
| Cell volume |
611.5 ± 0.7 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.106 |
| Residual factor for significantly intense reflections |
0.0464 |
| Weighted residual factors for significantly intense reflections |
0.1249 |
| Weighted residual factors for all reflections included in the refinement |
0.1497 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.099 |
| 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/7245707.html
