Information card for entry 4110297

Structure parameters

• Formula: C19 H24 O2 Si
• Calculated formula: C19 H24 O2 Si
• SMILES: [Si](/C=C1/C2(C(=C(c3ccccc3)C1)COCC2)C=O)(C)(C)C
• Title of publication: The Skeletal Rearrangement of Gold- and Platinum-Catalyzed Cycloisomerization of cis-4,6-Dien-1-yn-3-ols: Pinacol Rearrangement and Formation of Bicyclo[4.1.0]heptenone and Reorganized Styrene Derivatives
• Authors of publication: Jhih-Meng Tang; Sabyasachi Bhunia; Shariar Md. Abu Sohel; Ming-Yuan Lin; Hsin-Yi Liao; Swarup Datta; Arindam Das; Rai-Shung Liu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15677 - 15683
• a: 7.6498 ± 0.0004 Å
• b: 16.9929 ± 0.001 Å
• c: 27.4065 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3562.6 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No