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CIF Information Card
Information card for 7206009
7206008 << 7206009 >> 7206010Preview
|
Coordinates |
7206009.cif |
Structure parameters
| Formula | - C38 H46 N6 O2 - |
| Calculated formula | - C38 H46 N6 O2 - |
| Title of publication | A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas |
| Authors of publication | Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 3665 |
| a | 8.8432 ± 0.0011 Å |
| b | 18.133 ± 0.002 Å |
| c | 10.7628 ± 0.0013 Å |
| α | 90° |
| β | 111.47 ± 0.003° |
| γ | 90° |
| Cell volume | 1606.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0867 |
| Residual factor for observed reflections | 0.0413 |
| Weighted residual factors for the observed reflections | 0.0588 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for observed reflections | 0.806 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |