Information card for entry 4031816

Structure parameters

• Formula: C23 H36 O4 Si
• Calculated formula: C23 H36 O4 Si
• SMILES: [Si](C#CC[C@@H]1OC[C@]2([C@H]1[C@H](C(=O)C=C2)C(=O)OC)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: 7.7133 ± 0.0001 Å
• b: 12.5483 ± 0.0002 Å
• c: 25.0132 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2421 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No