Information card for entry 1505636

Structure parameters

• Formula: C15 H22 O3 Si
• Calculated formula: C15 H22 O3 Si
• SMILES: [Si]([C@H]1[C@H]([C@@H]2C=C3[C@]1(C2=O)CCCC3)C(=O)O)(C)(C)C.[Si]([C@@H]1[C@@H]([C@H]2C=C3[C@@]1(C2=O)CCCC3)C(=O)O)(C)(C)C
• Title of publication: Lewis Acid promoted tandem intermolecular Diels-Alder/intramolecular allylation reactions of silyl-substituted 1,3-butadienes leading to multisubstituted 7-norbornenones and related polycyclic compounds.
• Authors of publication: Li, Dongzhen; Liu, Guangzhen; Hu, Qiaoshu; Wang, Chao; Xi, Zhenfeng
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5433 - 5436
• a: 6.5983 ± 0.0013 Å
• b: 9.3785 ± 0.0019 Å
• c: 13.16 ± 0.003 Å
• α: 75.32 ± 0.03°
• β: 83.75 ± 0.03°
• γ: 73.23 ± 0.03°
• Cell volume: 753.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No