Information card for entry 4514296

Structure parameters

• Formula: C34 H38 N2 O8
• Calculated formula: C34 H38 N2 O8
• SMILES: C(=O)(c1ccc(cc1)C(=O)N[C@@H](C(=O)O)Cc1ccccc1)N[C@@H](C(=O)O)Cc1ccccc1.Cc1ccc(cc1)C.O.O
• Title of publication: Helicity Inversion of Supramolecular Hydrogels Induced by Achiral Substituents.
• Authors of publication: Liu, Guofeng; Li, Xin; Sheng, Jianhui; Li, Pei-Zhou; Ong, Wee Kong; Phua, Soo Zeng Fiona; Ågren, Hans; Zhu, Liangliang; Zhao, Yanli
• Journal of publication: ACS nano
• Year of publication: 2017
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 11880 - 11889
• a: 12.9758 ± 0.0005 Å
• b: 7.5976 ± 0.0003 Å
• c: 16.6409 ± 0.0009 Å
• α: 90°
• β: 95.664 ± 0.004°
• γ: 90°
• Cell volume: 1632.53 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No