Information card for entry 1552936

Structure parameters

• Formula: C44 H58 N8 O13
• Calculated formula: C44 H58 N8 O13
• Title of publication: Accelerated charge transfer in water-layered peptide assemblies.
• Authors of publication: Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud
• Journal of publication: Energy & environmental science
• Year of publication: 2020
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 96 - 101
• a: 21.2554 ± 0.0003 Å
• b: 5.93942 ± 0.0001 Å
• c: 17.7277 ± 0.0003 Å
• α: 90°
• β: 90.6651 ± 0.0012°
• γ: 90°
• Cell volume: 2237.88 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No