Information card for entry 4031812

Structure parameters

• Formula: C25 H34 O4 Si
• Calculated formula: C25 H34 O4 Si
• SMILES: [Si](c1ccccc1)([C@@H]1CC(=O)[C@@]23[C@@H]4[C@]1(C)CO[C@H]4CC(=C)[C@@H]2[C@@](OC3)(OC)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: 11.2623 ± 0.0002 Å
• b: 8.9195 ± 0.0001 Å
• c: 12.9754 ± 0.0009 Å
• α: 90°
• β: 114.397 ± 0.008°
• γ: 90°
• Cell volume: 1187.04 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No