Information card for entry 4133019

Structure parameters

• Formula: C34 H58 O3 Si
• Calculated formula: C34 H58 O3 Si
• SMILES: [Si](O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CC[C@@H]1OC(=O)C=CC1)C)C)(C)(C)C(C)(C)C
• Title of publication: Asymmetric Synthesis of α,β-Unsaturated δ-Lactones through Copper(I)-Catalyzed Direct Vinylogous Aldol Reaction.
• Authors of publication: Zhang, Hai-Jun; Yin, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 38
• Pages of publication: 12270 - 12279
• a: 7.1834 ± 0.0001 Å
• b: 11.0051 ± 0.0002 Å
• c: 21.1383 ± 0.0003 Å
• α: 90°
• β: 97.142 ± 0.001°
• γ: 90°
• Cell volume: 1658.1 ± 0.04 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.01 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: 0.0527
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No