Information card for entry 7129949

Structure parameters

• Formula: C60 H92 N12 O20
• Calculated formula: C60 H92 N12 O20
• Title of publication: Right- and left-handed PPI helices in cyclic dodecapeptoids.
• Authors of publication: Pierri, Giovanni; Schettini, Rosaria; Summa, Francesco F.; De Riccardis, Francesco; Monaco, Guglielmo; Izzo, Irene; Tedesco, Consiglia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• a: 9.9939 ± 0.0004 Å
• b: 23.591 ± 0.0009 Å
• c: 14.8973 ± 0.0006 Å
• α: 90°
• β: 93.357 ± 0.003°
• γ: 90°
• Cell volume: 3506.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No