Information card for entry 4132496

Structure parameters

• Formula: C174 H211 Br6 N33 O32 Zn3
• Calculated formula: C174 H201 Br6 N33 O32 Zn3
• Title of publication: Synthetic β-Barrel by Metal-Induced Folding and Assembly.
• Authors of publication: Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 28
• Pages of publication: 8644 - 8647
• a: 28.3931 ± 0.0003 Å
• b: 28.3931 ± 0.0003 Å
• c: 84.817 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 68377 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.3104
• Residual factor for significantly intense reflections: 0.2404
• Weighted residual factors for significantly intense reflections: 0.5093
• Weighted residual factors for all reflections included in the refinement: 0.5531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No