Information card for entry 4111310

Structure parameters

• Formula: C33 H46 O5 Si
• Calculated formula: C33 H46 O5 Si
• SMILES: [Si](OC1=C[C@@H]([C@H]2C(=C3[C@@H]1C(C=C3)(C(=O)OC)C(=O)OC)CCCC2)c1ccccc1)(C(C)C)(C(C)C)C(C)C.[Si](OC1=C[C@H]([C@@H]2C(=C3[C@H]1C(C=C3)(C(=O)OC)C(=O)OC)CCCC2)c1ccccc1)(C(C)C)(C(C)C)C(C)C
• Title of publication: W(CO)5(L)-Catalyzed Tandem Intramolecular Cyclopropanation/Cope Rearrangement for the Stereoselective Construction of Bicyclo[5.3.0]decane Framework
• Authors of publication: Hiroyuki Kusama; Yuji Onizawa; Nobuharu Iwasawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16500 - 16501
• a: 8.972 ± 0.002 Å
• b: 16.972 ± 0.005 Å
• c: 19.938 ± 0.007 Å
• α: 90°
• β: 93.758 ± 0.013°
• γ: 90°
• Cell volume: 3029.5 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No