Information card for entry 1553049

Structure parameters

• Chemical name: cd214703
• Formula: C26 H28 Cl N O3 S Si
• Calculated formula: C26 H28 Cl N O3 S Si
• SMILES: S(=O)(=O)(N1c2ccc(Cl)cc2C(=C\[Si](C)(C)C)/C(O)(C1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Cationic Pd(ii)-catalyzed cyclization of N-tosyl-aniline tethered alkynyl ketones initiated by hydropalladation of alkynes: a facile way to 1,2-dihydro or 1,2,3,4-tetrahydroquinoline derivatives
• Authors of publication: Shen, Kun; Han, Xiuling; Xia, Guoqin; Lu, Xiyan
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 145
• a: 32.673 ± 0.002 Å
• b: 12.2122 ± 0.0008 Å
• c: 12.9554 ± 0.0009 Å
• α: 90°
• β: 92.633 ± 0.002°
• γ: 90°
• Cell volume: 5163.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No