Information card for entry 7121532

Structure parameters

• Formula: C344 H334 Cl13 F6 K2 N71 O68 S2
• Calculated formula: C344 H142 Cl13 F6 K2 N71 O68 S2
• Title of publication: Carbohydrate binding through first- and second-sphere coordination within aromatic oligoamide metallofoldamers
• Authors of publication: Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 65.2962 ± 0.0007 Å
• b: 65.2962 ± 0.0007 Å
• c: 42.3749 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 180669 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.2065
• Residual factor for significantly intense reflections: 0.1496
• Weighted residual factors for significantly intense reflections: 0.378
• Weighted residual factors for all reflections included in the refinement: 0.4041
• Goodness-of-fit parameter for all reflections included in the refinement: 2.166
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No