Information card for entry 1567439

Structure parameters

• Formula: C25 H40 N2 O4
• Calculated formula: C25 H40 N2 O4
• 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: 9.3339 ± 0.0019 Å
• b: 9.6044 ± 0.0018 Å
• c: 14.535 ± 0.003 Å
• α: 81.54 ± 0.006°
• β: 78.191 ± 0.006°
• γ: 89.814 ± 0.006°
• Cell volume: 1261.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1553
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No