Information card for entry 4124259

Structure parameters

• Formula: C48 H72 O12 Si2
• Calculated formula: C48 H72 O12 Si2
• SMILES: C1(=O)[C@@]2(C[C@@]3(CC[C@@]4(C)CC(=O)C(=C4C3=CC[C@@H]2C(C)(C)O1)[Si](C)(C)C)O)O.C1(=O)[C@]2(C[C@]3(CC[C@]4(C)CC(=O)C(=C4C3=CC[C@H]2C(C)(C)O1)[Si](C)(C)C)O)O.CC(=O)OCC
• Title of publication: Asymmetric Total Synthesis of Propindilactone G.
• Authors of publication: You, Lin; Liang, Xin-Ting; Xu, Ling-Min; Wang, Yue-Fan; Zhang, Jia-Jun; Su, Qi; Li, Yuan-He; Zhang, Bo; Yang, Shou-Liang; Chen, Jia-Hua; Yang, Zhen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10120 - 10123
• a: 6.3335 ± 0.0006 Å
• b: 38.2 ± 0.003 Å
• c: 19.9859 ± 0.0012 Å
• α: 90°
• β: 92.539 ± 0.007°
• γ: 90°
• Cell volume: 4830.6 ± 0.7 ų
• Cell temperature: 180.01 ± 0.11 K
• Ambient diffraction temperature: 180.01 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No