Information card for entry 7129917

Structure parameters

• Common name: Perguanidino-gamma-Cyclodextrin
• Chemical name: Perguanidino-gamma-Cyclodextrin
• Formula: C112 H249.64 N50 O112.32 P9
• Calculated formula: C112 H203 N49 O94.72 P4.6
• Title of publication: A guanidino-γ-cyclodextrin superdimer generates a twin receptor for phosphate dimers assembled by anti-electrostatic hydrogen bonds
• Authors of publication: Saridakis, Emmanuel; Kasimati, Eleni Marina; Yannakopoulou, Konstantina; Mavridis, Irene M.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 26.9 ± 0.02 Å
• b: 36.4 ± 0.02 Å
• c: 53.2 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 52091 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.3187
• Weighted residual factors for all reflections included in the refinement: 0.3299
• Goodness-of-fit parameter for all reflections included in the refinement: 2.386
• Diffraction radiation wavelength: 0.912 Å
• Diffraction radiation type: SYNCHROTRON
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No