Information card for entry 7152782

Structure parameters

• Formula: C32 H52 O8
• Calculated formula: C32 H52 O8
• SMILES: O([C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO)[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@@H]3O[C@@]4(OC[C@@H](CC4)C)[C@H]([C@H]23)C)C)C1)C.O
• Title of publication: Novel organic gelators based on pentose derivatized diosgenyl saponins.
• Authors of publication: Guo, Xiurong; Xin, Guang; He, Shiliang; Wang, Yanyan; Huang, Baozhan; Zhao, Hang; Xing, Zhihua; Chen, Qingming; Huang, Wen; He, Yang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 821 - 827
• a: 6.6023 ± 0.0012 Å
• b: 6.6337 ± 0.0012 Å
• c: 37.831 ± 0.006 Å
• α: 94.504 ± 0.015°
• β: 90.801 ± 0.014°
• γ: 113.293 ± 0.017°
• Cell volume: 1515.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No