Information card for entry 7220690

Structure parameters

• Formula: C30 H41 N3 O6
• Calculated formula: C30 H41 N3 O6
• SMILES: CC(OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC)(C)C
• Title of publication: Sonication-induced instant fibrillation and fluorescent labeling of tripeptide fibers
• Authors of publication: Pramanik, Apurba; Paikar, Arpita; HALDAR, DEBASISH
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.3 ± 0.003 Å
• b: 16.864 ± 0.005 Å
• c: 19.266 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3021.6 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No