Information card for entry 4112818

Structure parameters

• Formula: C25 H34 O Si
• Calculated formula: C25 H34 O Si
• SMILES: [Si]1(OC(C(=C1C)c1ccccc1)(c1ccccc1)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Formation and Utility of Oxasilacyclopentenes Derived from Functionalized Alkynes
• Authors of publication: Timothy B. Clark; K. A. Woerpel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9522 - 9523
• a: 14.6527 ± 0.0007 Å
• b: 41.0065 ± 0.0019 Å
• c: 7.483 ± 0.0003 Å
• α: 90°
• β: 90.008 ± 0.001°
• γ: 90°
• Cell volume: 4496.2 ± 0.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 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 all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No