Information card for entry 7121531

Structure parameters

• Formula: C213.5 H224.5 Cl16.5 Cu F6 N41 O50 S2
• Calculated formula: C213.5 H93.5 Cl16.5 Cu F6 N41 O50 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: 22.943 ± 0.005 Å
• b: 25.222 ± 0.005 Å
• c: 27.356 ± 0.006 Å
• α: 115.13 ± 0.03°
• β: 109.03 ± 0.03°
• γ: 92.21 ± 0.03°
• Cell volume: 13255 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.266
• Weighted residual factors for all reflections included in the refinement: 0.2792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7222 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No