Information card for entry 7150273

Structure parameters

• Formula: C30 H54 N4 O10 S2
• Calculated formula: C30 H54 N4 O10 S2
• SMILES: C([C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)CC(C)C)C(=O)OC)SSC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)CC(C)C)C(=O)OC
• Title of publication: The role of the disulfide bond in amyloid-like fibrillogenesis in a model peptide system.
• Authors of publication: Das, Apurba Kumar; Drew, Michael G. B.; Haldar, Debasish; Banerjee, Arindam
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 19
• Pages of publication: 3502 - 3507
• a: 25.41 ± 0.03 Å
• b: 5.071 ± 0.007 Å
• c: 15.318 ± 0.017 Å
• α: 90°
• β: 106.77 ± 0.01°
• γ: 90°
• Cell volume: 1890 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No