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Information card for entry 7112332
Preview
| Coordinates | 7112332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(disulfide)-cryptophane-0.0 |
|---|---|
| Chemical name | bis(disulfide)-cryptophane-0.0 |
| Formula | C55 H61 N O10 S4 |
| Calculated formula | C55 H61 N O10 S4 |
| Title of publication | A bis(disulfide)-linked offset cryptophane. |
| Authors of publication | Little, Marc A.; Halcrow, Malcolm A.; Hardie, Michaele J. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 15 |
| Pages of publication | 1512 - 1514 |
| a | 11.768 ± 0.007 Å |
| b | 15.158 ± 0.008 Å |
| c | 15.531 ± 0.008 Å |
| α | 90.075 ± 0.005° |
| β | 104.37 ± 0.005° |
| γ | 103.986 ± 0.011° |
| Cell volume | 2599 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1804 |
| Weighted residual factors for all reflections included in the refinement | 0.1821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Duplicate of | 7108849 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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