Information card for entry 4131652

Structure parameters

• Formula: C30 H38 O Si
• Calculated formula: C30 H38 O Si
• SMILES: [Si]1(C=C(Oc2c(C(C)C)cccc2C(C)C)c2cccc3c2c1ccc3)(C(C)C)C(C)C
• 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: 10.303 ± 0.0004 Å
• b: 31.7889 ± 0.0011 Å
• c: 8.0404 ± 0.0003 Å
• α: 90°
• β: 102.747 ± 0.004°
• γ: 90°
• Cell volume: 2568.5 ± 0.17 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 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: 0.0787
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No