Information card for entry 1555878

Structure parameters

• Common name: SJY-006
• Formula: C17 H24 O2 S Si
• Calculated formula: C17 H24 O2 S Si
• SMILES: c1ccccc1C1=C(C(CS1)C[Si](C)(C)C)C(=O)OCC
• Title of publication: Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes.
• Authors of publication: Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 5408 - 5411
• a: 10.1244 ± 0.0004 Å
• b: 18.7208 ± 0.0008 Å
• c: 9.5787 ± 0.0004 Å
• α: 90°
• β: 91.3035 ± 0.0018°
• γ: 90°
• Cell volume: 1815.05 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No