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CIF Information Card
Information card for 7052630
7052629 << 7052630 >> 7052631Preview
|
Coordinates |
7052630.cif |
Structure parameters
| Formula | - C47 H58 O14.4 - |
| Calculated formula | - C47 H58 O14.191 - |
| 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 | 39.531 ± 0.007 Å |
| b | 10.5545 ± 0.0018 Å |
| c | 23.913 ± 0.004 Å |
| α | 90° |
| β | 111.845 ± 0.002° |
| γ | 90° |
| Cell volume | 9261 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.1495 |
| Residual factor for observed reflections | 0.0879 |
| Weighted residual factors for the observed reflections | 0.2585 |
| Weighted residual factors for all reflections included in the refinement | 0.3266 |
| Goodness-of-fit parameter for observed reflections | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |