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CIF Information Card
Information card for 7206026
7206025 << 7206026 >> 7206027Preview
|
Coordinates |
7206026.cif |
Structure parameters
| Common name | tetrabenzylcyclen |
| Chemical name | 1,4,7,10-tetrabenzyl-1,4,7,10-tetraazacyclododecane |
| Formula | - C36 H44 N4 - |
| Calculated formula | - C36 H44 N4 - |
| Title of publication | Tetrabenzylcyclen as a receptor for fluoride |
| Authors of publication | Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 3682 |
| a | 15.285 ± 0.003 Å |
| b | 6.467 ± 0.001 Å |
| c | 16.654 ± 0.002 Å |
| α | 90° |
| β | 110.64 ± 0.03° |
| γ | 90° |
| Cell volume | 1540.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0726 |
| Residual factor for observed reflections | 0.0488 |
| Weighted residual factors for the observed reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.1363 |
| Goodness-of-fit parameter for observed reflections | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |