Information card for entry 7051901
| Formula |
C13 H20 N4 O5 |
| Calculated formula |
C13 H20 N4 O5 |
| SMILES |
O.O=C(N(CC)CC)CNC(=O)Nc1ccc(N(=O)=O)cc1 |
| Title of publication |
New branched macrocyclic ligand and its side-arm, two urea-based receptors for anions: synthesis, binding studies and crystal structure |
| Authors of publication |
Formica, Mauro; Fusi, Vieri; Macedi, Eleonora; Paoli, Paola; Piersanti, Giovanni; Rossi, Patrizia; Zappia, Giovanni; Orlando, Pierfrancesco |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2008 |
| Journal volume |
32 |
| Journal issue |
7 |
| Pages of publication |
1204 |
| a |
6.793 ± 0.002 Å |
| b |
11.479 ± 0.005 Å |
| c |
11.615 ± 0.004 Å |
| α |
117.05 ± 0.04° |
| β |
93.32 ± 0.03° |
| γ |
105.24 ± 0.03° |
| Cell volume |
761.5 ± 0.6 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 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 |
0.0949 |
| Residual factor for significantly intense reflections |
0.0454 |
| Weighted residual factors for significantly intense reflections |
0.0988 |
| Weighted residual factors for all reflections included in the refinement |
0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.818 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7051901.html
