Information card for entry 1506457
| Formula |
C32 H38 N2 O8 |
| Calculated formula |
C32 H38 N2 O8 |
| SMILES |
C1(=O)C(=O)C(=C1NCC1COCCOCCOCCOCCOCCO1)NCc1c2ccccc2cc2ccccc12 |
| Title of publication |
Preparation, solid-state characterization, and computational study of a crown ether attached to a squaramide. |
| Authors of publication |
Frontera, Antonio; Orell, Maria; Garau, Carolina; Quiñonero, David; Molins, Elies; Mata, Ignasi; Morey, Jeroni |
| Journal of publication |
Organic letters |
| Year of publication |
2005 |
| Journal volume |
7 |
| Journal issue |
8 |
| Pages of publication |
1437 - 1440 |
| a |
10.373 Å |
| b |
10.925 Å |
| c |
14.066 Å |
| α |
83.18° |
| β |
70.88° |
| γ |
78.91° |
| Cell volume |
1475.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.2549 |
| Residual factor for significantly intense reflections |
0.0492 |
| Weighted residual factors for significantly intense reflections |
0.1173 |
| Weighted residual factors for all reflections included in the refinement |
0.1673 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.924 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1506457.html
