Information card for entry 7120200

Structure parameters

• Formula: C38 H66 F18 N10 O15
• Calculated formula: C38 H58 F12 N10 O15
• Title of publication: Parallel and Antiparallel Cyclic D/L Peptide Nanotubes
• Authors of publication: Silk, Mitchell; Newman, Janet; Ratcliffe, Julian; White, Jacinta; Caradoc-Davies, Tom; Price, Jason R.; Perrier, Sebastien; Thompson, Philip Evan; Chalmers, David K.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 29.78 ± 0.006 Å
• b: 4.7 ± 0.0009 Å
• c: 20.22 ± 0.004 Å
• α: 90°
• β: 100.38 ± 0.03°
• γ: 90°
• Cell volume: 2783.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.1068
• Weighted residual factors for significantly intense reflections: 0.2794
• Weighted residual factors for all reflections included in the refinement: 0.2918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.95369 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No