Information card for entry 2236523
Chemical name |
<i>N</i>,<i>N</i>-Dicyclohexyl-3,5-dinitrobenzamide |
Formula |
C19 H25 N3 O5 |
Calculated formula |
C19 H25 N3 O5 |
SMILES |
O=N(=O)c1cc(N(=O)=O)cc(c1)C(=O)N(C1CCCCC1)C1CCCCC1 |
Title of publication |
<i>N</i>,<i>N</i>-Dicyclohexyl-3,5-dinitrobenzamide |
Authors of publication |
Saeed, Sohail; Rashid, Naghmana; Butcher, Ray J.; Öztürk Yildirim, Sema; Hussain, Rizwan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
10 |
Pages of publication |
o2953 |
a |
6.8187 ± 0.0007 Å |
b |
9.7877 ± 0.0012 Å |
c |
14.7423 ± 0.0012 Å |
α |
92.512 ± 0.008° |
β |
98.898 ± 0.008° |
γ |
99.704 ± 0.009° |
Cell volume |
955.67 ± 0.18 Å3 |
Cell temperature |
123 ± 2 K |
Ambient diffraction temperature |
123 ± 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 |
0.0539 |
Residual factor for significantly intense reflections |
0.0446 |
Weighted residual factors for significantly intense reflections |
0.1214 |
Weighted residual factors for all reflections included in the refinement |
0.1318 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2236523.html