Information card for entry 4131881

Structure parameters

• Formula: C123 H166 Cl7 N33 O30 S7
• Calculated formula: C123 H166 Cl7 N33 O30 S7
• Title of publication: Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper.
• Authors of publication: Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 17
• Pages of publication: 5661 - 5665
• a: 17.0979 ± 0.0005 Å
• b: 17.0979 ± 0.0005 Å
• c: 28.8128 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8423.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.1558
• Residual factor for significantly intense reflections: 0.1106
• Weighted residual factors for significantly intense reflections: 0.3013
• Weighted residual factors for all reflections included in the refinement: 0.3544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No