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Information card for entry 1551386
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Coordinates | 1551386.cif |
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Original paper (by DOI) | HTML |
Formula | C412 H420 N80 O82 |
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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 |
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The link is: https://www.crystallography.net/1551386.html
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Users of the data should acknowledge the original authors of the
structural data.