Information card for entry 7223748

Structure parameters

• Formula: C39 H74 O5 Si
• Calculated formula: C39 H74 O5 Si
• SMILES: [Si](O[C@@H]1C([C@H]2[C@@]([C@@H]3[C@@H]([C@@H](OC(=O)C)C2)[C@]2([C@](C[C@@H]3O)([C@H](CC2)[C@@H](CCCC(C)C)C)C)C)(CC1)C)(C)C)(C(C)(C)C)(C)C.OC
• Title of publication: Efforts to Total Synthesis of Philinopside E: Convergent Synthesis of the Sulfated Lanostane-Type Tetraglycoside
• Authors of publication: Bai, Shujin; Wu, Zhi-Yong; Huang, Qingyun; Zhang, Li; Chen, Pengwei; Wang, Cong; Zhang, Xiuli; Wang, Peng; Li, Ming
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.2841 ± 0.0003 Å
• b: 31.683 ± 0.0016 Å
• c: 10.093 ± 0.0005 Å
• α: 90°
• β: 93.1715 ± 0.0017°
• γ: 90°
• Cell volume: 2006.43 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No