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CIF Information Card
Information card for 7052631
7052630 << 7052631 >> 7052632Preview
|
Coordinates |
7052631.cif |
Structure parameters
| Formula | - C40 H40 O16 - |
| Calculated formula | - C48 H64 O12.578 - |
| Title of publication | Solvent mediated self-assembly of organic nanostructures |
| Authors of publication | Maerz, Andrew K.; Fowler, Drew A.; Mossine, Andrew V.; Mistry, Miten; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 4 |
| Pages of publication | 784 |
| a | 10.94 ± 0.005 Å |
| b | 12.189 ± 0.005 Å |
| c | 17.454 ± 0.01 Å |
| α | 78.497 ± 0.006° |
| β | 87.202 ± 0.007° |
| γ | 84.105 ± 0.004° |
| Cell volume | 2267.7 ± 1.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1476 |
| Residual factor for observed reflections | 0.0788 |
| Weighted residual factors for the observed reflections | 0.2308 |
| Weighted residual factors for all reflections included in the refinement | 0.2773 |
| Goodness-of-fit parameter for observed reflections | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |