Information card for entry 1514904

Structure parameters

• Formula: C22 H35 Na O7 S
• Calculated formula: C22 H33 Na O7 S
• SMILES: S(=O)(=O)([O-])[C@H]1[C@]23CC[C@@H]4[C@](CCC[C@]4([C@@H]2CC[C@@](C3)(C1=O)C)C)(C)C(=O)OCC.[Na+].O
• Title of publication: A novel Na+ coordination mediated supramolecular organogel based on isosteviol: water-assisted self-assembly, in situ forming and selective gelation abilities
• Authors of publication: Zhang, Tao; Wu, Ya; Gao, Lihong; Song, Zhongtai; Zhao, Li; Zhang, Yunxiao; Tao, Jingchao
• Journal of publication: Soft Matter
• Year of publication: 2013
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 638
• a: 7.35356 ± 0.00014 Å
• b: 22.3698 ± 0.0004 Å
• c: 28.078 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4618.77 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No