Information card for entry 1551386

Structure parameters

• 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 ų
• 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