Information card for entry 4031025

Structure parameters

• Formula: C26 H38 O2 Si
• Calculated formula: C26 H38 O2 Si
• SMILES: [Si](OC1=CC[C@@]2(C(=C)[C@H]([C@H]([C@@H]1C(C)C)C2=O)c1ccccc1)C)(C)(C)C(C)(C)C.[Si](OC1=CC[C@]2(C(=C)[C@@H]([C@@H]([C@H]1C(C)C)C2=O)c1ccccc1)C)(C)(C)C(C)(C)C
• Title of publication: Nazarov reactions intercepted by (4 + 3) cycloadditions with oxygen-substituted dienes.
• Authors of publication: LeFort, François M; Mishra, Vinayak; Dexter, Graham D.; Morgan, Timothy D. R.; Burnell, D. Jean
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 5877 - 5886
• a: 10.3117 ± 0.0005 Å
• b: 11.9449 ± 0.0007 Å
• c: 20.2093 ± 0.0013 Å
• α: 90°
• β: 97.899 ± 0.003°
• γ: 90°
• Cell volume: 2465.6 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No