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CIF Information Card
Information card for 7206010
7206009 << 7206010 >> 7206011Preview
|
Coordinates |
7206010.cif |
Structure parameters
| Formula | - C28 H34 N4 O5 S - |
| Calculated formula | - C28 H34 N4 O5 S - |
| 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 | 7.1366 ± 0.0004 Å |
| b | 10.9517 ± 0.0006 Å |
| c | 33.5506 ± 0.0018 Å |
| α | 90° |
| β | 94.278 ± 0.001° |
| γ | 90° |
| Cell volume | 2614.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0823 |
| Residual factor for observed reflections | 0.0418 |
| Weighted residual factors for the observed reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for observed reflections | 0.826 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |