Information card for entry 4131651

Structure parameters

• Formula: C30 H36 O Si
• Calculated formula: C30 H36 O Si
• SMILES: [Si]1(C=C(Oc2c(cccc2C(C)C)C(C)C)c2ccccc12)(C(C)(C)C)c1ccccc1
• Title of publication: Synthesis of Benzosiloles by Intramolecular anti-Hydroarylation via ortho-C-H Activation of Aryloxyethynyl Silanes.
• Authors of publication: Minami, Yasunori; Noguchi, Yuta; Hiyama, Tamejiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 40
• Pages of publication: 14013 - 14016
• a: 12.318 ± 0.002 Å
• b: 17.125 ± 0.004 Å
• c: 25.001 ± 0.005 Å
• α: 90°
• β: 93.745 ± 0.004°
• γ: 90°
• Cell volume: 5262.6 ± 1.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1247
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No