Information card for entry 4031026

Structure parameters

• Formula: C24 H34 O2 Si
• Calculated formula: C24 H34 O2 Si
• SMILES: [Si](OC1=C[C@H]([C@]2(C(=C)[C@H](c3ccccc3)[C@@H](C1)C2=O)C)C)(C)(C)C(C)(C)C.[Si](OC1=C[C@@H]([C@@]2(C(=C)[C@@H](c3ccccc3)[C@H](C1)C2=O)C)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: 8.0594 ± 0.0003 Å
• b: 11.3396 ± 0.0005 Å
• c: 13.1503 ± 0.0004 Å
• α: 92.0232 ± 0.0014°
• β: 103.648 ± 0.0015°
• γ: 102.583 ± 0.002°
• Cell volume: 1135.05 ± 0.08 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No