Information card for entry 2016136
| Common name |
Amitriptylinium picrate |
| Chemical name |
3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1- aminium 2,4,6-trinitrophenolate |
| Formula |
C26 H26 N4 O7 |
| Calculated formula |
C26 H26 N4 O7 |
| Title of publication |
Amitriptylinium picrate: conformational disorder |
| Authors of publication |
Bindya, S.; Wong, Wing-Tak; Ashok, M. A.; Yathirajan, H. S.; Rathore, R. S. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2007 |
| Journal volume |
63 |
| Journal issue |
9 |
| Pages of publication |
o546 - o548 |
| a |
10.0649 ± 0.0011 Å |
| b |
11.0187 ± 0.0012 Å |
| c |
12.0352 ± 0.0013 Å |
| α |
73.357 ± 0.002° |
| β |
79.305 ± 0.003° |
| γ |
85.411 ± 0.004° |
| Cell volume |
1256.1 ± 0.2 Å3 |
| Cell temperature |
301 ± 1 K |
| Ambient diffraction temperature |
301 ± 1 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 |
0.0724 |
| Residual factor for significantly intense reflections |
0.0575 |
| Weighted residual factors for significantly intense reflections |
0.162 |
| Weighted residual factors for all reflections included in the refinement |
0.1783 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.063 |
| 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/2016136.html
