Information card for entry 4110546

Structure parameters

• Formula: C34 H38 N2 O3 S Si
• Calculated formula: C34 H38 N2 O3 S Si
• SMILES: S(=O)(=O)(N1Cc2c(c([Si](C)(C)C)c(N(Cc3ccccc3)C(=O)c3ccccc3)c(c2C1)C)C)c1ccc(cc1)C
• Title of publication: Enantioselective Synthesis of Axially Chiral Anilides through Rhodium-Catalyzed [2+2+2] Cycloaddition of 1,6-Diynes with Trimethylsilylynamides
• Authors of publication: Ken Tanaka; Kenzo Takeishi; Keiichi Noguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 4586 - 4587
• a: 31.7037 ± 0.0011 Å
• b: 10.2735 ± 0.0004 Å
• c: 19.8389 ± 0.0007 Å
• α: 90°
• β: 100.942 ± 0.003°
• γ: 90°
• Cell volume: 6344.2 ± 0.4 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No