Information card for entry 1551385

Structure parameters

• Formula: C206 H210 N40 O40
• Calculated formula: C206 H210 N40 O40
• 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: 24.443 ± 0.0006 Å
• b: 21.3714 ± 0.0005 Å
• c: 46.5745 ± 0.001 Å
• α: 90 ± 0.001°
• β: 101.926 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 23804.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2254
• Residual factor for significantly intense reflections: 0.1677
• Weighted residual factors for significantly intense reflections: 0.4601
• Weighted residual factors for all reflections included in the refinement: 0.5103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No