Information card for entry 2212223
Common name |
2,8-Dimethyl-1,9-dinitro Tröger's base |
Chemical name |
2,8-Dimethyl-1,9-dinitro-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine |
Formula |
C17 H16 N4 O4 |
Calculated formula |
C17 H16 N4 O4 |
Title of publication |
2,8-Dimethyl-1,9-dinitro-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine |
Authors of publication |
Bhuiyan, M. Delower H.; Jensen, Paul; Try, Andrew C. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
2 |
Pages of publication |
o908 - o909 |
a |
7.526 ± 0.002 Å |
b |
8.057 ± 0.002 Å |
c |
13.932 ± 0.003 Å |
α |
92.944 ± 0.003° |
β |
92.93 ± 0.003° |
γ |
115.649 ± 0.002° |
Cell volume |
758 ± 0.3 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 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 |
0.0405 |
Residual factor for significantly intense reflections |
0.0357 |
Weighted residual factors for significantly intense reflections |
0.1005 |
Weighted residual factors for all reflections included in the refinement |
0.1057 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
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/2212223.html