Information card for entry 2236854
| Chemical name |
2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1λ^5^- phosphatricyclo[3.3.3.0^1,5^]undecan-5-ium chloride dihydrate |
| Formula |
C18 H44 Cl N4 O2 P |
| Calculated formula |
C18 H44 Cl N4 O2 P |
| Title of publication |
2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1λ^5^-phosphatricyclo[3.3.3.0^1,5^]undecan-5-ium chloride dihydrate |
| Authors of publication |
Lee, Junseong; Kim, Youngjo |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2012 |
| Journal volume |
68 |
| Journal issue |
12 |
| Pages of publication |
o3317 |
| a |
10.0945 ± 0.0019 Å |
| b |
15.759 ± 0.003 Å |
| c |
16.122 ± 0.003 Å |
| α |
106.72 ± 0.008° |
| β |
92.259 ± 0.008° |
| γ |
90.616 ± 0.008° |
| Cell volume |
2453.7 ± 0.8 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1299 |
| Residual factor for significantly intense reflections |
0.068 |
| Weighted residual factors for significantly intense reflections |
0.1745 |
| Weighted residual factors for all reflections included in the refinement |
0.2124 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.013 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2236854.html
