Information card for entry 4110918

Structure parameters

• Common name: cucurbit[8]uril/FGG peptide complex
• Formula: C74 H191 N38 O47
• Calculated formula: C74 H82 N38 O46.5
• Title of publication: Sequence-Specific Recognition and Cooperative Dimerization of N-Terminal Aromatic Peptides in Aqueous Solution by a Synthetic Host
• Authors of publication: Lisa M. Heitmann; Alexander B. Taylor; P. John Hart; Adam R. Urbach
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12574 - 12581
• a: 13.211 ± 0.013 Å
• b: 22.65 ± 0.02 Å
• c: 38.42 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11496 ± 19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.1277
• Weighted residual factors for significantly intense reflections: 0.3408
• Weighted residual factors for all reflections included in the refinement: 0.3472
• Goodness-of-fit parameter for all reflections included in the refinement: 2.306
• Diffraction radiation wavelength: 0.95 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No