Information card for entry 4034875

Structure parameters

• Formula: C26 H40 O5 Si
• Calculated formula: C26 H40 O5 Si
• SMILES: [Si](O[C@@H]1C[C@@H]2CC(=O)[C@H]3[C@]4(O)CCC(=O)[C@]4(C)CC4=COC[C@]2([C@H]34)CC1)(C)(C)C(C)(C)C
• Title of publication: Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.
• Authors of publication: Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 22
• Pages of publication: 13888 - 13910
• a: 6.7367 ± 0.0003 Å
• b: 22.9731 ± 0.0007 Å
• c: 16.5877 ± 0.0012 Å
• α: 90°
• β: 90.862 ± 0.007°
• γ: 90°
• Cell volume: 2566.9 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No