Information card for entry 4118869

Structure parameters

• Formula: C21 H36 O4 Si
• Calculated formula: C21 H36 O4 Si
• SMILES: [Si](c1ccccc1)([C@@H]1[C@H](O[C@@H]2CCC[C@@H](C)[C@@]12C)[C@@H](O)COC)(C)C.O
• Title of publication: Divergent Synthesis of Functionalized Carbocycles through Organosilane-Directed Asymmetric Alkyne-Alkene Reductive Coupling and Annulation Sequence
• Authors of publication: Jie Wu; Yi Pu; James S. Panek
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18440 - 18446
• a: 7.2946 ± 0.0003 Å
• b: 13.3574 ± 0.0005 Å
• c: 22.0331 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2146.84 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0477
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No