Information card for entry 1554856

Structure parameters

• Formula: C20 H26 N2 O8 Si
• Calculated formula: C20 H26 N2 O8 Si
• SMILES: c1c(C(=O)O[C@@H]2CCC(=O)O[C@H]2/C=C/[Si](CC)(CC)CC)cc(N(=O)=O)cc1N(=O)=O.c1c(C(=O)O[C@H]2CCC(=O)O[C@@H]2/C=C/[Si](CC)(CC)CC)cc(N(=O)=O)cc1N(=O)=O
• Title of publication: Synthesis of functionalized γ-lactone via Sakurai exo-cyclization/rearrangement of 3,3-bis(silyl) enol ester with a tethered acetal.
• Authors of publication: Yin, Zhiping; Liu, Zengjin; Huang, Zhenggang; Chu, Yang; Chu, Zhiwen; Hu, Jia; Gao, Lu; Song, Zhenlei
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1553 - 1556
• a: 18.687 ± 0.007 Å
• b: 6.709 ± 0.002 Å
• c: 37.603 ± 0.013 Å
• α: 90°
• β: 90.534 ± 0.004°
• γ: 90°
• Cell volume: 4714 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1503
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No