Information card for entry 4127339

Structure parameters

• Formula: C25 H48 O4 Si2
• Calculated formula: C25 H48 O4 Si2
• SMILES: [Si](OC[C@@]1(C)CCC[C@@]2([C@H]1CO[Si](C)(C)C(C)(C)C)C=CC(=O)OC2)(C(C)(C)C)(C)C.[Si](OC[C@H]1[C@]2(C=CC(=O)OC2)CCC[C@@]1(C)CO[Si](C)(C)C(C)(C)C)(C(C)(C)C)(C)C
• Title of publication: Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.
• Authors of publication: Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 20
• Pages of publication: 8372 - 8380
• a: 13.1614 ± 0.0014 Å
• b: 13.9623 ± 0.0018 Å
• c: 32.099 ± 0.005 Å
• α: 90°
• β: 96.405 ± 0.012°
• γ: 90°
• Cell volume: 5861.8 ± 1.3 ų
• Cell temperature: 179.97 ± 0.13 K
• Ambient diffraction temperature: 179.97 ± 0.13 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1571
• Residual factor for significantly intense reflections: 0.1193
• Weighted residual factors for significantly intense reflections: 0.2466
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No