Information card for entry 2007981
| Chemical name |
4,10,16,22-tetra(1-naphthylmethyl)-1,7,13,19-tetraoxa-4,10,16,22- tetraazacyclotetracosano |
| Formula |
C62 H72 Cl4 N4 O4 |
| Calculated formula |
C62 H72 Cl4 N4 O4 |
| SMILES |
O1CCN(CCOCCN(CCOCCN(CCOCCN(CC1)Cc1cccc2c1cccc2)Cc1cccc2c1cccc2)Cc1cccc2c1cccc2)Cc1cccc2c1cccc2.ClCCl.ClCCl |
| Title of publication |
Two Macrocyclic Azacrown Ethers |
| Authors of publication |
Alessandra Forni |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1998 |
| Journal volume |
54 |
| Journal issue |
12 |
| Pages of publication |
1921 - 1923 |
| a |
11.369 ± 0.003 Å |
| b |
12.175 ± 0.003 Å |
| c |
12.268 ± 0.003 Å |
| α |
64.42 ± 0.02° |
| β |
72.89 ± 0.02° |
| γ |
73.37 ± 0.02° |
| Cell volume |
1438.7 ± 0.7 Å3 |
| Cell temperature |
245 ± 2 K |
| Ambient diffraction temperature |
245 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0571 |
| Residual factor for significantly intense reflections |
0.0355 |
| Weighted residual factors for all reflections |
0.0952 |
| Weighted residual factors for significantly intense reflections |
0.084 |
| Goodness-of-fit parameter for all reflections |
0.948 |
| Goodness-of-fit parameter for significantly intense reflections |
1.073 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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