Information card for entry 4131880

Structure parameters

• Formula: C260 H378 Cl12 N56 O71.5 S14
• Calculated formula: C260 H378 Cl12 N56 O71.5 S14
• 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: 18.981 ± 0.005 Å
• b: 25.97 ± 0.007 Å
• c: 21.424 ± 0.006 Å
• α: 90°
• β: 110.983 ± 0.004°
• γ: 90°
• Cell volume: 9860 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.1665
• Residual factor for significantly intense reflections: 0.1308
• Weighted residual factors for significantly intense reflections: 0.3394
• Weighted residual factors for all reflections included in the refinement: 0.3905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.44281 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No