Information card for entry 1567440

Structure parameters

• Formula: C23 H40 N2 O5
• Calculated formula: C23 H40 N2 O5
• Title of publication: Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array
• Authors of publication: Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 9614 - 9623
• a: 37.83 ± 0.02 Å
• b: 4.929 ± 0.003 Å
• c: 12.845 ± 0.007 Å
• α: 90°
• β: 97.014 ± 0.013°
• γ: 90°
• Cell volume: 2377 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1303
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No