Information card for entry 4038570

Structure parameters

• Common name: Vinylsilane Syn
• Chemical name: Vinylsilane Intermediate
• Formula: C33 H55 N O5 Si
• Calculated formula: C33 H55 N O5 Si
• SMILES: [Si](/C=C\1[C@@H]([C@@H](C(=O)OC(C)(C)C)C)CCN([C@H]1CCC1(OCC(CO1)(C)C)C)Cc1ccc(OC)cc1)(C)(C)C.[Si](/C=C\1[C@H]([C@H](C(=O)OC(C)(C)C)C)CCN([C@@H]1CCC1(OCC(CO1)(C)C)C)Cc1ccc(OC)cc1)(C)(C)C
• Title of publication: Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.
• Authors of publication: Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.1976 ± 0.0008 Å
• b: 13.8881 ± 0.0012 Å
• c: 14.247 ± 0.0013 Å
• α: 70.634 ± 0.005°
• β: 87.276 ± 0.006°
• γ: 86.347 ± 0.006°
• Cell volume: 1712.7 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No