Information card for entry 2221539
Chemical name |
4-Ammonio-2,2,6,6-tetramethylpiperidinium bis(dihydrogen phosphate) monohydrate |
Formula |
C9 H28 N2 O9 P2 |
Calculated formula |
C9 H28 N2 O9 P2 |
SMILES |
P(=O)([O-])(O)O.P(=O)(O)(O)[O-].O.[NH2+]1C(CC([NH3+])CC1(C)C)(C)C |
Title of publication |
4-Ammonio-2,2,6,6-tetramethylpiperidinium bis(dihydrogen phosphate) monohydrate |
Authors of publication |
Mrad, Mohamed Lahbib; Akriche, Sameh; Rzaigui, Mohamed; Ben Nasr, Cherif |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
o757 - o758 |
a |
12.604 ± 0.005 Å |
b |
8.249 ± 0.002 Å |
c |
16.321 ± 0.002 Å |
α |
90° |
β |
104.56 ± 0.04° |
γ |
90° |
Cell volume |
1642.4 ± 0.8 Å3 |
Cell temperature |
298 K |
Ambient diffraction temperature |
298 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0943 |
Residual factor for significantly intense reflections |
0.049 |
Weighted residual factors for significantly intense reflections |
0.112 |
Weighted residual factors for all reflections included in the refinement |
0.1283 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.995 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
Mokα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2221539.html