Information card for entry 4514297

Structure parameters

• Formula: C34 H38 N2 O8
• Calculated formula: C34 H38 N2 O8
• SMILES: O=C(N[C@H](C(=O)O)Cc1ccccc1)c1ccc(C(=O)N[C@H](C(=O)O)Cc2ccccc2)cc1.O.O.c1(ccc(cc1)C)C
• 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: 12.7269 ± 0.0006 Å
• b: 7.587 ± 0.0003 Å
• c: 16.475 ± 0.0007 Å
• α: 90°
• β: 95.706 ± 0.004°
• γ: 90°
• Cell volume: 1582.93 ± 0.12 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: 0.0437
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No