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