Information card for entry 4111343

Structure parameters

• Common name: bis-silyl ether of abudinol
• Formula: C39 H72 O4 Si2
• Calculated formula: C39 H72 O4 Si2
• SMILES: [C@H]12[C@](CC[C@H](C(C)(C)O2)O[Si](C)(C)C)([C@@H]2[C@@](CC1)(/C(=C1\CC[C@@H]3[C@@](C1)(CC[C@H](C(C)(C)O3)O[Si](C)(C)C(C)(C)C)C)CC2)C)C
• Title of publication: Total Syntheses of Durgamone, Nakorone, and Abudinol B via Biomimetic Oxa- and Carbacyclizations
• Authors of publication: Rongbiao Tong; Jason C. Valentine; Frank E. McDonald; Rui Cao; Xikui Fang; Kenneth I. Hardcastle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1050 - 1051
• a: 13.008 ± 0.002 Å
• b: 7.6273 ± 0.0011 Å
• c: 22.235 ± 0.003 Å
• α: 90°
• β: 106.982 ± 0.003°
• γ: 90°
• Cell volume: 2109.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1065
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No