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CIF Information Card
Information card for 7206011
7206010 << 7206011 >> 7206012Preview
|
Coordinates |
7206011.cif |
Structure parameters
| Formula | - C28 H32 N4 O4 - |
| Calculated formula | - C28 H32 N4 O4 - |
| 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 | 6.9772 ± 0.0004 Å |
| b | 10.5977 ± 0.0006 Å |
| c | 17.178 ± 0.0009 Å |
| α | 93.904 ± 0.001° |
| β | 90.393 ± 0.001° |
| γ | 104.403 ± 0.001° |
| Cell volume | 1227.03 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0626 |
| Residual factor for observed reflections | 0.0397 |
| Weighted residual factors for the observed reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.1005 |
| Goodness-of-fit parameter for observed reflections | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |