Information card for entry 4518754

Structure parameters

• Formula: C72 H78 F18 Fe2 N6 O13
• Calculated formula: C72 H78 F18 Fe2 N6 O13
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])Cc1ccccc1.[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])Cc1ccccc1.FC(F)(F)C(O)C(F)(F)F.FC(F)(F)C(O)C(F)(F)F.FC(F)(F)C(O)C(F)(F)F.O.O.[NH2+]1C[C@@H]([NH2+]CC1)C
• Title of publication: Self-Templated, Enantioselective Assembly of an Amyloid-like Dipeptide into Multifunctional Hierarchical Helical Arrays
• Authors of publication: Wang, Yuefei; Li, Qing; Zhang, Jiaxing; Qi, Wei; You, Shengping; Su, Rongxin; He, Zhimin
• Journal of publication: ACS Nano
• Year of publication: 2021
• a: 17.354 ± 0.004 Å
• b: 17.817 ± 0.004 Å
• c: 24.358 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7531 ± 3 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No