Information card for entry 1572836

Structure parameters

• Formula: C46 H58 N2 O10 S2
• Calculated formula: C46 H58 N2 O10 S2
• SMILES: c1(ccc(cc1)c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-].c1cc(cc[n+]1CC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)c1cc[n+](cc1)CC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
• Title of publication: Chiral ionic organic single-crystal and its exfoliated two-dimensional nanosheets with enhanced enantioseparation.
• Authors of publication: Liu, Huifeng; He, Yongrui; Chen, Jia; Qu, Xiaoqing; He, Jing; Chen, Xuwei; Wang, Jianhua; Qiu, Hongdeng
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 18818 - 18824
• a: 9.0954 ± 0.0014 Å
• b: 28.981 ± 0.004 Å
• c: 20.898 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5508.6 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No