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Information card for entry 1551386
Preview
| Coordinates | 1551386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C412 H420 N80 O82 |
|---|---|
| Calculated formula | C412 H420 N80 O82 |
| Title of publication | Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose |
| Authors of publication | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc |
| Journal of publication | Nature Chemistry |
| Year of publication | 2015 |
| Journal volume | 7 |
| Pages of publication | 334 - 341 |
| a | 29.18 ± 0.006 Å |
| b | 31.72 ± 0.006 Å |
| c | 32.14 ± 0.006 Å |
| α | 69.39 ± 0.03° |
| β | 73.89 ± 0.03° |
| γ | 68.09 ± 0.03° |
| Cell volume | 25465 ± 11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1761 |
| Residual factor for significantly intense reflections | 0.138 |
| Weighted residual factors for significantly intense reflections | 0.4015 |
| Weighted residual factors for all reflections included in the refinement | 0.4328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.706 |
| Diffraction radiation wavelength | 0.78 Å |
| Diffraction radiation type | synchrotronradiation |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215915 (current) | 2019-06-13 | cif/ Adding structures of 1551386 via cif-deposit CGI script. |
1551386.cif |
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Users of the data should acknowledge the original authors of the
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