Information card for entry 4031813

Structure parameters

• Formula: C30 H50 O4 Si2
• Calculated formula: C30 H50 O4 Si2
• SMILES: [Si](C(C)(C)C)(C#C[C@]12[C@@H]3[C@H](OC[C@@]3(COC1=O)CC[C@@H]2O)CC#C[Si](C(C)C)(C(C)C)C(C)C)(C)C.[Si](C(C)(C)C)(C#C[C@@]12[C@H]3[C@@H](OC[C@]3(COC1=O)CC[C@H]2O)CC#C[Si](C(C)C)(C(C)C)C(C)C)(C)C
• Title of publication: Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.
• Authors of publication: Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 3
• Pages of publication: 751 - 771
• a: 7.7056 ± 0.0001 Å
• b: 31.3414 ± 0.0006 Å
• c: 12.9403 ± 0.0009 Å
• α: 90°
• β: 92.142 ± 0.007°
• γ: 90°
• Cell volume: 3123 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0775
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No