Information card for entry 2243655
| Chemical name |
4-(2-Methoxyphenyl)piperazin-1-ium 2,4,6-trinitrophenolate |
| Formula |
C17 H19 N5 O8 |
| Calculated formula |
C17 H19 N4.999 O7.998 |
| Title of publication |
Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions |
| Authors of publication |
Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2020 |
| Journal volume |
76 |
| Journal issue |
11 |
| Pages of publication |
1779 - 1793 |
| a |
9.4151 ± 0.0005 Å |
| b |
9.8721 ± 0.0005 Å |
| c |
10.9572 ± 0.0005 Å |
| α |
77.524 ± 0.004° |
| β |
81.36 ± 0.005° |
| γ |
81.002 ± 0.005° |
| Cell volume |
974.97 ± 0.09 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0541 |
| Residual factor for significantly intense reflections |
0.0404 |
| Weighted residual factors for significantly intense reflections |
0.1116 |
| Weighted residual factors for all reflections included in the refinement |
0.1187 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.072 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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https://www.crystallography.net/2243655.html
